CAS No.143664-11-3,Elacridar Suppliers

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Basic Information

Molecular Structure:
CAS No.:	143664-11-3
Name:	Elacridar

Formula:	C₃₄H₃₃N₃O₅
Molecular Weight:	563.64
Synonyms:	GF 120918;GG 918;GW 0918;N-[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide;4-Acridinecarboxamide,N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-9,10-dihydro-5-methoxy-9-oxo-;
EINECS:	1532714-185-1
Density:	1.264 g/cm³
Melting Point:	216-218 °C
Boiling Point:	701.6 °C at 760 mmHg
Flash Point:	378.1 °C
Appearance:	Yellow Solid
Safety:	24/25
PSA:	92.89000
LogP:	5.57110

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Specification

1. Introduction of Elacridar

Elacridar, with the IUPAC name of N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide, is one kind of inhibitor. It belongs to the following product categories, such as Miscellaneous; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals and so on. This chemical can be used as a prototypical BCRP inhibitor. It inhibits the Bcrp1-mediated transport.

2. Properties of Elacridar

Physical properties about Elacridar are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 58.11; (6)ACD/BCF (pH 7.4): 2851.52; (7)ACD/KOC (pH 5.5): 148.85; (8)ACD/KOC (pH 7.4): 7304.7; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.55Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 161.44 cm³; (15)Molar Volume: 445.6 cm³; (16)Polarizability: 63.99x10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 102.68 kJ/mol; (19)Boiling Point: 701.6 °C at 760 mmHg; (20)Vapour Pressure: 1.57E-19 mmHg at 25°C.

3. Structure Descriptors of Elacridar

You could convert the following datas into the molecular structure:
(1)SMILES: O=C2c1cccc(c1Nc3c2cccc3OC)C(=O)Nc4ccc(cc4)CCN6Cc5c(cc(OC)c(OC)c5)CC6
(2)InChI: InChI=1/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
(3)InChIKey: OSFCMRGOZNQUSW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
(5)Std. InChIKey: OSFCMRGOZNQUSW-UHFFFAOYSA-N