CGS-27023A MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23N3O5S.ClH.H2O
Molecular Weight	447.934
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CN=C2)[C@H](C(C)C)C(=O)NO

InChI

InChIKey=MIFQKYHOJIHOGY-ZEECNFPPSA-N

InChI=1S/C18H23N3O5S.ClH.H2O/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16;;/h4-11,13,17,23H,12H2,1-3H3,(H,20,22);1H;1H2/t17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H23N3O5S
Molecular Weight	393.457
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Matrix metalloproteinase-25 3 Target ID: CHEMBL1795103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21514700	Inhibitor 8297	1.5 nM [IC50]
Matrix metalloproteinase 9 20 Target ID: CHEMBL321 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21514700	Inhibitor 8297	4.8 nM [IC50]
Matrix metalloproteinase 8 6 Target ID: CHEMBL4588 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21514700	Inhibitor 8297	7.7 nM [IC50]
Matrix metalloproteinase 3 13 Target ID: CHEMBL283 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21514700	Inhibitor 8297	16.0 nM [IC50]
Matrix metalloproteinase 14 6 Target ID: CHEMBL3869 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21514700	Inhibitor 8297	23.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:22 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:22 GMT 2023`
Record UNII	8247FI9HZ7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CGS-27023A MONOHYDRATE

Code

English

MMI-270B

Code

English

N-HYDROXY-2(R)-((4-METHOXYSULFONYL)(3-PICOLYL) AMINO)-3-METHYLBUTANEAMIDE HYDROCHLORIDE) MONOHYDRATE

Systematic Name

English

MMI270B

Code

English

BUTANAMIDE, N-HYDROXY-2-(((4-METHOXYPHENYL)SULFONYL)(3-PYRIDINYLMETHYL)AMINO)-3-METHYL-, MONOHYDROCHLORIDE, MONOHYDRATE, (2R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8247FI9HZ7

Created by admin on Fri Dec 15 15:43:22 GMT 2023 , Edited by admin on Fri Dec 15 15:43:22 GMT 2023

PRIMARY

PUBCHEM

162623889

Created by admin on Fri Dec 15 15:43:22 GMT 2023 , Edited by admin on Fri Dec 15 15:43:22 GMT 2023

PRIMARY

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