[ CAS No. 704-15-4 ] {[proInfo.proName]}

Name: 704-15-4|H-Gly-Pro-OH|97%
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2D 3D

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Quality Control of [ 704-15-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 704-15-4 ]

SDS Specification

Alternatived Products of [ 704-15-4 ]

Product Details of [ 704-15-4 ]

CAS No. :	704-15-4	MDL No. :
Formula :	C₇H₁₂N₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KZNQNBZMBZJQJO-YFKPBYRVSA-N
M.W :	172.18	Pubchem ID :	3013625
Synonyms :

Calculated chemistry of [ 704-15-4 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.14
TPSA :	83.63 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	-3.11
Log Po/w (WLOGP) :	-1.36
Log Po/w (MLOGP) :	-1.03
Log Po/w (SILICOS-IT) :	-0.91
Consensus Log Po/w :	-1.17

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.25
Solubility :	3060.0 mg/ml ; 17.8 mol/l
Class :	Highly soluble
Log S (Ali) :	1.92
Solubility :	14300.0 mg/ml ; 83.1 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.54
Solubility :	598.0 mg/ml ; 3.48 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.89

Safety of [ 704-15-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 704-15-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 704-15-4 ]

[ 704-15-4 ] Synthesis Path-Downstream 1~65

1
[ 17126-94-2 ]
[ 704-15-4 ]
[ 91307-69-6 ]

Reference： [1]Journal of the Chemical Society,1956,p. 3642,3646

2
[ 23500-10-9 ]
[ 704-15-4 ]

Reference： [1]Biochemische Zeitschrift,1933,vol. 266,p. 216,219

3
[ 1160-54-9 ]
[ 704-15-4 ]

Reference： [1]Journal of the Chemical Society,1956,p. 3642,3646
[2]Chemistry of Natural Compounds,1990,vol. 26,p. 686 - 690
Khimiya Prirodnykh Soedinenii,1990,p. 805 - 810

4
[ 95688-74-7 ]
[ 704-15-4 ]

Reference： [1]Biochemische Zeitschrift,1933,vol. 266,p. 216,219

5
1-iodoacetyl-L-proline [ No CAS ]
[ 704-15-4 ]

Reference： [1]Biochemische Zeitschrift,1933,vol. 266,p. 216,219

6
[ 56-41-7 ]
[ 60189-43-7 ]
[ 100-01-6 ]
[ 837-83-2 ]
[ 704-15-4 ]

Reference： [1]Pharmazie,1989,vol. 44,p. 778 - 780
[2]Pharmazie,1989,vol. 44,p. 778 - 780

7
[ 60-18-4 ]
[ 60189-43-7 ]
[ 22028-91-7 ]
[ 100-01-6 ]
[ 704-15-4 ]

Reference： [1]Pharmazie,1989,vol. 44,p. 778 - 780
[2]Pharmazie,1989,vol. 44,p. 778 - 780

8
[ 837-83-2 ]
[ 56-41-7 ]
[ 704-15-4 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707
[2]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707

9
[ 60189-43-7 ]
[ 100-01-6 ]
[ 704-15-4 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707
[2]Pharmazie,1989,vol. 44,p. 778 - 780
[3]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707

10
[ 72122-62-4 ]
[ 51871-47-7 ]
[ 7669-65-0 ]
[ 89187-15-5 ]
[ 704-15-4 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707

11
[ 72122-62-4 ]
[ 51871-47-7 ]
[ 7669-65-0 ]
[ 89187-15-5 ]
Phe-Pro-Gly-Pro-Ile [ No CAS ]
[ 704-15-4 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 704 - 707

12
[ 3304-59-4 ]
[ 704-15-4 ]
[ 70989-57-0 ]

Reference： [1]Chemistry of Natural Compounds,1990,vol. 26,p. 686 - 690
Khimiya Prirodnykh Soedinenii,1990,p. 805 - 810

13
[ 2646-61-9 ]
[ 2646-63-1 ]
[ 704-15-4 ]

Reference： [1]Chemical and pharmaceutical bulletin,1984,vol. 32,p. 4036 - 4042

14
(S)-1-(2-Carboxyamino-acetyl)-pyrrolidine-2-carboxylic acid [ No CAS ]
[ 704-15-4 ]

Reference： [1]Journal of the American Chemical Society,1993,vol. 115,p. 7343 - 7350

15
[ 60189-43-7 ]
[ 56-40-6 ]
[ 100-01-6 ]
[ 704-15-4 ]
[ 2441-63-6 ]

Reference： [1]Pharmazie,1989,vol. 44,p. 778 - 780
[2]Pharmazie,1989,vol. 44,p. 778 - 780

16
[ 60189-43-7 ]
[ 147-85-3 ]
[ 13100-15-7 ]
[ 100-01-6 ]
[ 704-15-4 ]

Reference： [1]Pharmazie,1989,vol. 44,p. 778 - 780
[2]Pharmazie,1989,vol. 44,p. 778 - 780

17
[ 124-38-9 ]
[ 704-15-4 ]
(S)-1-(2-Carboxyamino-acetyl)-pyrrolidine-2-carboxylic acid [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1993,vol. 115,p. 7343 - 7350

18
[ 1161-13-3 ]
[ 704-15-4 ]
(S)-1-[2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1981,p. 632 - 634

19
[ 1027190-58-4 ]
[ 704-15-4 ]
[ 159517-32-5 ]

Reference： [1]Tetrahedron,1994,vol. 50,p. 8381 - 8392

20
[ 704-15-4 ]
[ 72634-87-8 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1985,vol. 58,p. 227 - 229

21
[ 704-15-4 ]
[ 56-40-6 ]
[ 147-85-3 ]

Reference： [1]Journal of the American Chemical Society,1990,vol. 112,p. 1248 - 1249

23
[ 7647-01-0 ]
[ 704-15-4 ]
[ 56-40-6 ]
[ 147-85-3 ]

Reference： [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1953,vol. 295,p. 368,371

25
glycyl-prolyl-4-methoxy-β-naphthylamide [ No CAS ]
[ 2764-95-6 ]
[ 704-15-4 ]

Reference： [1]Journal of the Indian Chemical Society,2002,vol. 79,p. 605 - 608

26
[ 19545-26-7 ]
[ 704-15-4 ]
(S)-1-(2-[(1S,10R,11R,13S,14R)-11-Acetoxy-6-hydroxy-1-methoxymethyl-10,13-dimethyl-3,7,17-trioxo-1,7,10,11,12,13,14,15,16,17-decahydro-2-oxa-cyclopenta[a]phenanthren-(4Z)-ylidenemethyl]-amino}-acetyl)-pyrrolidine-2-carboxylic acid [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2004,vol. 2,p. 1911 - 1920

27
[ 28920-43-6 ]
[ 704-15-4 ]
[ 212651-48-4 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 2619 - 2622

28
5-glycylprolylglycyclprolyl-9-di(3-sulfonylpropyl)aminobenza[a]phenoxazolium perchlorate [ No CAS ]
(5-amino-benzo[<i>a</i>]phenoxazin-9-ylidene)-bis-(3-sulfo-propyl)-ammonium; perchlorate [ No CAS ]
[ 3705-27-9 ]
[ 704-15-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 2599 - 2602

29
[ 77-76-9 ]
[ 704-15-4 ]
[ 53309-02-7 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

30
[ 704-15-4 ]
C₃₈H₄₄N₂O₈ [ No CAS ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

31
[ 704-15-4 ]
[ 952312-36-6 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

32
[ 704-15-4 ]
C₃₉H₄₆N₂O₈ [ No CAS ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

33
[ 704-15-4 ]
C₂₄H₃₄N₂O₁₁ [ No CAS ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

34
[ 704-15-4 ]
C₂₁H₃₂N₂O₈ [ No CAS ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

35
[ 704-15-4 ]
C₁₈H₂₈N₂O₈ [ No CAS ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 2757 - 2769

36
[ 147-85-3 ]
[ 704-15-4 ]

Reference： [1]Chemistry of Natural Compounds,1990,vol. 26,p. 686 - 690
Khimiya Prirodnykh Soedinenii,1990,p. 805 - 810
[2]Biochemische Zeitschrift,1933,vol. 266,p. 216,219
[3]Biochemische Zeitschrift,1933,vol. 266,p. 216,219
[4]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1932,vol. 212,p. 72,79
[5]Biochemische Zeitschrift,1933,vol. 266,p. 216,219
[6]Journal of Photochemistry and Photobiology B: Biology,2013,vol. 126,p. 78 - 86

37
[ 33256-35-8 ]
[ 704-15-4 ]

Reference： [1]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1958,p. 1129,1130; engl. Ausg. S. 1097

38
[ 79-04-9 ]
[ 507-09-5 ]
[ 704-15-4 ]
1-[N-(Acetylthioacetyl)glycyl]-L-proline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; potassium carbonate; In acetic acid-chloroform; water;	EXAMPLE 1 1-[N-(Acetylthioacetyl)glycyl]-L-proline Glycyl-L-proline (1.72 g) is taken into 10 ml of 1N sodium hydroxide with stirring in an ice bath. To this 5 ml of 2N sodium hydroxide is added followed by 1.13 g of chloracetyl chloride and the bath is removed. After three hours at room temperature, thiolacetic acid (836 mg) and potassium carbonate (960 mg) in 10 ml of water is added and the reaction is stirred for about 16 hours at room temperature. The reaction is acidified with sulfonated polystyrene cation exchange resin, eluted with water and concentrated to dryness in vauco. This was taken into acetic acid and the insolubles (melting point over 320 C.) are filtered. The filtrate is concentrated to dryness in vacuo and 7:3 chloroform acetic acid is added. The product is centrifuged and the supernate applied to a 60 g silica gel column and eluted with 7:3 chloroform: acetic acid yielding 1.0 g of the title compound.

Reference： [1]Patent: US4684660,1987,A

Yield	Reaction Conditions	Operation in experiment
		(b) 1-Glycyl-L-proline, phenylmethyl ester, hydrochloride salt A solution of the product from part (a) (4.3 g., 9.9 mmole) and trifluoroacetic acid (8 ml.) is stirred under argon at 25 for 15 minutes. The excess trifluoroacetic acid is evaporated and the residue is treated with saturated hydrochloric acid/ether solution. The resulting oil is washed with ether (twice). Trituration with cold ether (twice) gives an amorphous solid which becomes an oil at room temperature. The residue is dried in vacuo for 72 hours to give 2.9 g. of 1-glycyl-L-proline, phenylmethyl ester, hydrochloride salt as a foam. Tlc (dichloromethane/methanol/acetic acid; 8:1:1) shows a single spot at Rf 0.5. Anal. calc'd for C14 H19 N2 O3 Cl.0.75 H2 O: C, 53.84; H, 6.62; Cl, 11.35 Found: C, 53.90; H, 6.61; Cl, 11.05
		...or Leu, amino acid X7 is Arg, Ala or Lys; with the proviso that simultaneously can not X1 be Gln, X2 be Trp, X3 be Gln, X4 be Arg, X5 be Asn, X6 be Met, and X7 be Arg. R1 is either Lys or a peptide sequence selected from R2 is either Gly or a peptide sequence selected from ... Gly-Pro-Pro-Val, Gly-Pro-Pro, and Gly-Pro
		...a or Leu, amino acid X7 is Arg, Ala or Lys; with the proviso that simultaneous can not X1 be Gln, X2 be Trp, X3 be Gln, X4 be Arg, X5 be Asn, X6 be Met, and X7 be Arg; R1 is either Lys or a peptide sequence selected from R2 is either Gly or a peptide sequence selected from ... Gly-Pro-Pro-Val, Gly-Pro-Pro, and Gly-Pro

40
[ 60-29-7 ]
zinc(II) hydroxide [ No CAS ]
[ 704-15-4 ]
Zn⁽²⁺⁾*2NH₂CH₂C(O)NC₃H₆CHCO₂^(1-)*H₂O*0.1(C₂H₅)2O=[Zn(NH₂CH₂C(O)NC₃H₆CHCO₂)2]*H₂O*0.1(C₂H₅)2O [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 981 - 986

41
poly(N-acetylmannosamine), linked by 1-6-phosphodiester bonds, oxidized by NaIO₄ [ No CAS ]
[ 704-15-4 ]
poly(N-acetylmannosamine), linked by 1-6-phosphodiester bonds, oxidized by NaIO₄, conjugated with Gly-Pro [ No CAS ]

Reference： [1]Russian Journal of Bioorganic Chemistry,2008,vol. 34,p. 563 - 570

42
[ 24424-99-5 ]
[ 704-15-4 ]
[ 14296-92-5 ]

Reference： [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 2126 - 2135

43
[ 56-40-6 ]
[ 147-85-3 ]
[ 704-15-4 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2010,vol. 74,p. 415 - 418

44
[ 34619-03-9 ]
[ 704-15-4 ]
[ 14296-92-5 ]