carotegrast methyl , CAS No.401905-67-7, Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)

Item Number

C608327

Grouped product items
SKU	Size	Availability	Price	Qty
C608327-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
C608327-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

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Basic Description

Synonyms	Carotegrast methyl\|401905-67-7\|yl]phenyl]propanoate\|OYK17DYO9M\|Carotegrast methyl (JAN)\|AJM300\|CAROTEGRAST METHYL [JAN]\|(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]propanoic acid\|methyl (2S)-2-[(2,6-dichlorobenzoyl)a
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)

Names and Identifiers

IUPAC Name	methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
INCHI	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
InChi Key	MMHHPKCJJIFLBQ-QFIPXVFZSA-N
Canonical SMILES	CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
Isomeric SMILES	CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
Alternate CAS	401905-67-7
PubChem CID	9872780
MeSH Entry Terms	AJM300;carotegrast methyl;L-phenylalanine, N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)-, methyl ester;methyl N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl

PubChem CID

CAS Registry No.

References

1. Yoshimura N, Watanabe M, Motoya S, Tominaga K, Matsuoka K, Iwakiri R, Watanabe K, Hibi T, AJM300 Study Group. (2015) Safety and Efficacy of AJM300, an Oral Antagonist of α4 Integrin, in Induction Therapy for Patients With Active Ulcerative Colitis.. Gastroenterology, 149 (7): (1775-1783.e2). [PMID:26327130]
2. Vetter M, Neurath MF. (2017) Emerging oral targeted therapies in inflammatory bowel diseases: opportunities and challenges.. Therap Adv Gastroenterol, 10 (10): (773-790). [PMID:29051788]
3. White JR, Phillips F, Monaghan T, Fateen W, Samuel S, Ghosh S, Moran GW. (2018) Review article: novel oral-targeted therapies in inflammatory bowel disease.. Aliment Pharmacol Ther, 47 (12): (1610-1622). [PMID:29672874]
4. Fukase H, Kajioka T, Oikawa I, Ikeda N, Furuie H. (2020) AJM300, a novel oral antagonist of α4-integrin, sustains an increase in circulating lymphocytes: A randomised controlled trial in healthy male subjects.. Br J Clin Pharmacol, 86 (3): (591-600). [PMID:31658381]
5. Shukla T, Sands BE. (2019) Novel Non-biologic Targets for Inflammatory Bowel Disease.. Curr Gastroenterol Rep, 21 (5): (22). [PMID:31016396]

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Basic Description