CAS 1259393-05-9

Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-

Description:

Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans- is a complex organic compound characterized by its multi-functional structure, which includes a cyclohexanecarboxylic acid moiety and a benzazepine derivative. The presence of trifluoromethyl groups suggests significant lipophilicity and potential biological activity, while the tetrazole ring may contribute to its pharmacological properties. The compound is likely to exhibit acidic behavior due to the carboxylic acid group, which can participate in hydrogen bonding and influence solubility in polar solvents. Its trans configuration indicates specific stereochemistry that may affect its interaction with biological targets. As a hydrate, it contains water molecules in its crystalline structure, which can impact its stability and solubility. Overall, this compound's intricate structure and functional groups suggest potential applications in medicinal chemistry, particularly in drug development.

Formula: C₃₁H₃₆F₆N₆O₂·H₂O

InChI: InChI=1S/C31H36F6N6O2.H2O/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37;/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45);1H2/t20-,22-,26-;/m0./s1

InChI key: InChIKey=SNDKWXRGPMCSQJ-AWQMOBFQSA-N

SMILES: N(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)([C@@H]2C=3C(N(C[C@@H]4CC[C@@H](C(O)=O)CC4)CCC2)=C(C)C=C(C)C3)C=5N=NN(C)N5.O

Synonyms:

• Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-

Evacetrapib monohydrate - Bio-X ™

CAS: 1259393-05-9

This product is part of our Bio-X ™ Range. These products are aimed at life science researchers who need high quality ready-to-use products for assay development, screening or other R&D work. With a solubility datasheet and convenient vials, all of our Bio-X ™ products are in stock across our global warehouses for rapid delivery and ease of use.

Formula: C₃₁H₃₆F₆N₆O₂•H₂O

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 656.66 g/mol

Ref: 3D-BE300077

Evacetrapib monohydrate

CAS: 1259393-05-9

Inhibitor of CETP exchange protein

Formula: C₃₁H₃₆F₆N₆O₂•H₂O

Purity: Min. 95 Area-%

Color and Shape: Off-White Powder

Molecular weight: 656.66 g/mol

Ref: 3D-FE65020