CAROTEGRAST METHYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H26Cl2N4O5
Molecular Weight	569.436
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)N2C(=O)N(C)C3=C(C=C(C=C3)N(C)C)C2=O)NC(=O)C4=C(Cl)C=CC=C4Cl

InChI

InChIKey=MMHHPKCJJIFLBQ-QFIPXVFZSA-N

InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H26Cl2N4O5
Molecular Weight	569.436
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 `Mon Mar 31 21:32:15 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:15 GMT 2025`
Record UNII	OYK17DYO9M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAROTEGRAST METHYL [JAN]

Preferred Name

English

CAROTEGRAST METHYL

Common Name

English

L-PHENYLALANINE, N-(2,6-DICHLOROBENZOYL)-4-(6-(DIMETHYLAMINO)-1,4-DIHYDRO-1-METHYL-2,4-DIOXO-3(2H)-QUINAZOLINYL)-, METHYL ESTER

Common Name

English

Carotegrast methyl [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

401905-67-7