CAS No.376348-65-1,Maraviroc Suppliers

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Basic Information

Molecular Structure:
CAS No.:	376348-65-1
Name:	Maraviroc
Article Data:	12

Formula:	C₂₉H₄₁F₂N₅O
Molecular Weight:	513.674
Synonyms:	Cyclohexanecarboxamide,4,4-difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-;Celsentri;UK 427857;
EINECS:	609-456-0
Density:	1.29 g/cm³
Melting Point:	79-81 °C
Appearance:	Brown solid
Hazard Symbols:	Xn
Risk Codes:	48/22
Safety:	22-36
PSA:	63.05000
LogP:	6.27970

Raw Materials

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Specification

Maraviroc is one kind of brown solid. Its chemical name is 4,4-Difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide. Besides, Maraviroc belongs to Anti-AIDS; Chiral Reagents; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, Maraviroc can soluble to 75 mM in DMSO and to 100 mM in ethanol.

Physical properties about Maraviroc are: (1)ACD/LogP: 5.304; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 5.14; (6)ACD/BCF (pH 7.4): 18.76; (7)ACD/KOC (pH 5.5): 14.86; (8)ACD/KOC (pH 7.4): 54.28; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 141.101 cm³; (14)Molar Volume: 397.785 cm³; (15)Polarizability: 55.937 10-24cm³; (16)Surface Tension: 44.2509994506836 dyne/cm; (17)Density: 1.291 g/cm³;

Uses of Maraviroc: Maraviroc (CAS NO.376348-65-1) has been used for non-competitive CCR5 receptor antagonist as a potent antiviral durg inhibiting binding of HIV viral coat protein gp120. Besides, it is a antiviral. It also appeared to reduce graft-versus-host disease in patients treated with allogeneic bone marrow transplantation for leukemia. In addition, Maraviroc can be made into the tablet. And Maraviroc comes as a tablet to take by mouth. It is usually taken with or without food two times a day.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1;
(2)InChIKey=GSNHKUDZZFZSJB-QYOOZWMWSA-N;
(3)SmilesC1[C@H]2N([C@@H](C[C@H]1n1c(nnc1C(C)C)C)CC2)CC[C@@H](c1ccccc1)NC(C1CCC(CC1)(F)F)=O