obicetrapib - Moligand™, ≥98% , Cholesteryl ester transfer protein inhibitor, CAS No.866399-87-3, Cholesteryl ester transfer protein inhibitor

CAS: 866399-87-3 Cat. No.: O612453 Molecular Weight: 722.6 EC Number: 956-870-5 PubChem CID: 11498596

GRADE & PURITY Moligand™, ≥98%

Synonyms

OBICETRAPIB [WHO-DD] | EX-A6112 | 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid | HY-18778 | Obicetrapib (AMG-899,TA-8995) | SCHEMBL170

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

OBICETRAPIB [WHO-DD] | EX-A6112 | 4-[2-[[3, 5-bis(trifluoromethyl)phenyl]methyl-[(2R, 4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3, 4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid | HY-18778 | Obicetrapib (AMG-899, TA-8995) | SCHEMBL170

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Cholesteryl ester transfer protein inhibitor

Purity

≥98%

Product Properties

• ALogP: 7.4

Names and Identifiers

• Canonical Smiles: CC[C@@H]1C[C@@H](c2c(N1C(=O)OCC)ccc(c2)C(F)(F)F)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)OCCCC(=O)O
• IUPAC Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid
• InChIKey: NRWORBQAOQVYBJ-GJZUVCINSA-N
• INCHI: 1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1
• Isomeric SMILES: CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O
• PubChem CID: 11498596
• Molecular Weight: 722.6

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 722.600 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 722.215 Da
• Monoisotopic Mass: 722.215 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1