CAS 112966-96-8

Domitroban

Description:

Domitroban, with the CAS number 112966-96-8, is a chemical compound that belongs to the class of non-steroidal anti-inflammatory drugs (NSAIDs). It is primarily recognized for its role as a selective thromboxane A2 receptor antagonist, which means it inhibits the action of thromboxane A2, a compound involved in platelet aggregation and vasoconstriction. This characteristic makes Domitroban potentially useful in managing conditions related to cardiovascular health, as it may help reduce the risk of thrombus formation. The compound is typically characterized by its moderate solubility in organic solvents and limited solubility in water, which can influence its bioavailability and pharmacokinetics. Additionally, Domitroban has been studied for its anti-inflammatory properties, contributing to its therapeutic potential. As with many pharmaceuticals, understanding its mechanism of action, efficacy, and safety profile is crucial for its application in clinical settings. Further research continues to explore its full range of biological effects and potential therapeutic uses.

Formula: C₂₀H₂₇NO₄S

InChI: InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1

InChI key: InChIKey=PWTCIBWRMQFJBC-ZEMKZVSASA-N

SMILES: N(S(=O)(=O)C1=CC=CC=C1)[C@@H]2[C@@H](C/C=C\CCCC(O)=O)[C@]3(C[C@@]2(CC3)[H])[H]

Synonyms:

• Domitroban
• 5-Heptenoic acid, 7-[3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, [1R-[1α,2α(Z),3β,4α]]-
• 5-Heptenoic acid, 7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, (5Z)-
• (+)-S 145
• (5Z)-7-[(1R,2S,3S,4S)-3-[(Phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

Domitroban

CAS: 112966-96-8

Domitroban, also known as S-145, is a thromboxane (Tx) A2-receptor antagonist with partial agonistic activity in vascular smooth muscle.

Formula: C₂₀H₂₇NO₄S

Color and Shape: Solid

Molecular weight: 377.5

Ref: TM-T71405