CAROTEGRAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H24Cl2N4O5
Molecular Weight	555.409
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C1=CC2=C(C=C1)N(C)C(=O)N(C2=O)C3=CC=C(C[C@H](NC(=O)C4=C(Cl)C=CC=C4Cl)C(O)=O)C=C3

InChI

InChIKey=YQKBOUPIOWUMTE-NRFANRHFSA-N

InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H24Cl2N4O5
Molecular Weight	555.409
Charge	0
Count

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

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20020228&CC=WO&NR=0216329A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20030828&CC=WO&NR=03070709A1&KC=A1

Carotegrast is phenylalanine derivative patented by pharmaceutical company Ajinomoto Co. for the treatment or prevention of inflammatory disease states related to the α4 integrin-dependent adhesion process. In preclinical studies, Carotegrast shows pharmacological activity in rheumatoid arthritis and inflammatory bowel disease.

Originator

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:25:09 GMT 2023` Edited by `admin` on `Fri Dec 15 17:25:09 GMT 2023`
Record UNII	Y1HYC6SO3F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAROTEGRAST

Official Name

English

carotegrast [INN]

Common Name

English

Carotegrast [WHO-DD]

Common Name

English

(2S)-2-(2,6-DICHLOROBENZAMIDO)-3-(4-(6-(DIMETHYLAMINO)-1-METHYL-2,4-DIOXO-1,4-DIHYDROQUINAZOLIN-3(2H)-YL)PHENYL)PROPANOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

401904-75-4