3-CARBOXY-5-METHYLISOXAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CARBOXY-5-METHYLISOXAZOLE

Structure Search

SMILES

CC1=CC(=NO1)C(O)=O

InChI

InChIKey=BNMPIJWVMVNSRD-UHFFFAOYSA-N

InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C5H5NO3
Molecular Weight	127.0981
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
Histone deacetylase 6 27 Target ID: CHEMBL1865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8146	0.002 nM [IC50]
Histone deacetylase 10 10 Target ID: CHEMBL5103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8146	90.7 nM [IC50]
Histone deacetylase 3 35 Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8146	0.42 nM [IC50]
Histone deacetylase 2 37 Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8146	252.0 nM [IC50]
Histone deacetylase 1 51 Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8146	271.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sun Dec 18 16:39:07 UTC 2022` Edited by `admin` on `Sun Dec 18 16:39:07 UTC 2022`
Record UNII	YZP807C30G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-CARBOXY-5-METHYLISOXAZOLE

Systematic Name

English

3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-

Systematic Name

English

5-METHYL-3-ISOXAZOLECARBOXYLIC ACID

Systematic Name

English

5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID

Systematic Name

English

ISOX

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

222-289-4

Created by admin on Sun Dec 18 16:39:07 UTC 2022 , Edited by admin on Sun Dec 18 16:39:07 UTC 2022

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FDA UNII

YZP807C30G

Created by admin on Sun Dec 18 16:39:07 UTC 2022 , Edited by admin on Sun Dec 18 16:39:07 UTC 2022

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CAS

3405-77-4

Created by admin on Sun Dec 18 16:39:07 UTC 2022 , Edited by admin on Sun Dec 18 16:39:07 UTC 2022

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PUBCHEM

76947

Created by admin on Sun Dec 18 16:39:07 UTC 2022 , Edited by admin on Sun Dec 18 16:39:07 UTC 2022

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