CAS No.199798-84-0,Elocalcitol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	199798-84-0
Name:	Elocalcitol
Article Data:	6

Formula:	C₂₉H₄₃FO₂
Molecular Weight:	442.658
Synonyms:	BXL 628;Ro 26-9228;Cyclohexanol, 3-((2E)-((3aS,7aS)-1-((1S,3E)-5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (1R,3Z,5S)-;1alpha-Fluoro-25-hydroxy-16,23E-diene-26,27-bishomo-20-epi-cholecalciferol;Cyclohexanol, 3-((1-(5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (3aS-(1(1R,3E),3aalpha,4E(1S,3Z,5R*),7abeta))-;
PSA:	40.46000
LogP:	7.15820

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Specification

1. Introduction of Elocalcitol

Elocalcitol, with the IPUAC name of (1R,3E,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol, is one kind of calcitriol analog. Elocalcitol is a calcitriol analog for inhibition of prostate cell growth and in phase II clinical trial in patients with benign prostate hyperplasia (4/2004). It is an analogue of calcitriol that possesses the desirable properties of calcitriol but does not cause hypercalcemia and also Elocalcitol is in development for benign prostatic hyperplasia (BPH) and overactive bladder (OAB). However, Elocalcitol showed relevant effects on the symptomatic parameters urgency, frequency and nocturia, as well as on the urodynamic parameter maximum urinary flow rate (Qmax), this chemicals continues to show excellent safety and tolerability, avoiding the side effects associated with the currently available treatment options.

2. Structure Descriptors of Elocalcitol

1)InChI: InChI=1/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13+/t20-,24+,26-,27-,28+/m0/s1
2)Smiles: [C@@H]1(C[C@@H](C(=C)/C(=C/C=C2/[C@H]3[C@](CCC2)(C(=CC3)[C@H](C/C=C/C(CC)(CC)O)C)C)C1)F)O