bexotegrast , CAS No.2376257-44-0, Antagonist of integrin; alpha V subunit

Item Number

B608031

Grouped product items
SKU	Size	Availability	Price	Qty
B608031-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$615.90
B608031-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,844.90

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Basic Description

Synonyms	HY-137561 \| 2376257-44-0 \| (S)-4-[(2-Methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(quinazolin-4-yl)amino]butanoic acid \| BDBM50594476 \| CS-0140405 \| GLXC-26826 \| Bexotegrast \| PLN74809 \| PLN-74809 \| Butanoic acid, 4-[(2-methox
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of integrin; alpha V subunit

Names and Identifiers

IUPAC Name	(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid
INCHI	InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1
InChi Key	CWOFQJBATWQSHL-DEOSSOPVSA-N
Canonical SMILES	COCCN(CCCCc1nc2c(CCCN2)cc1)CC[C@@H](C(=O)O)Nc1ncnc2ccccc12
Isomeric SMILES	COCCN(CCCCC1=NC2=C(CCCN2)C=C1)CC[C@@H](C(=O)O)NC3=NC=NC4=CC=CC=C43
PubChem CID	135390719

PubChem CID

BindingDB Ligand

CAS Registry No.

References

1. Fabregat I, Moreno-Càceres J, Sánchez A, Dooley S, Dewidar B, Giannelli G, Ten Dijke P, IT-LIVER Consortium. (2016) TGF-β signalling and liver disease.. FEBS J, 283 (12): (2219-32). [PMID:26807763] [10.1021/op500134e]
2. Saito A, Horie M, Nagase T. (2018) TGF-β Signaling in Lung Health and Disease.. Int J Mol Sci, 19 (8): (2460). [PMID:30127261] [10.1021/op500134e]
3. Decaris ML, Schaub JR, Chen C, Cha J, Lee GG, Rexhepaj M, Ho SS, Rao V, Marlow MM, Kotak P et al.. (2021) Dual inhibition of α_vβ₆ and α_vβ₁ reduces fibrogenesis in lung tissue explants from patients with IPF.. Respir Res, 22 (1): (265). [PMID:34666752] [10.1021/op500134e]

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Basic Description