114489-80-4

• 

• Basic information

  1. Product Name: 26,26,26,27,27,27-hexafluoro-1,23,25-trihydroxyvitamin D3
  2. Synonyms: 26,26,26,27,27,27-hexafluoro-1,23,25-trihydroxyvitamin D3
  3. CAS NO:114489-80-4
  4. Molecular Formula: C₂₇H₃₈F₆O₄
  5. Molecular Weight: 540.58
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 114489-80-4.mol
  9. Article Data: 2

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 603.1°Cat760mmHg
  3. Flash Point: 318.6°C
  4. Appearance: /
  5. Density: 1.28g/cm³
  6. Vapor Pressure: 4.61E-17mmHg at 25°C
  7. Refractive Index: 1.514
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: 26,26,26,27,27,27-hexafluoro-1,23,25-trihydroxyvitamin D3(CAS DataBase Reference)
  11. NIST Chemistry Reference: 26,26,26,27,27,27-hexafluoro-1,23,25-trihydroxyvitamin D3(114489-80-4)
  12. EPA Substance Registry System: 26,26,26,27,27,27-hexafluoro-1,23,25-trihydroxyvitamin D3(114489-80-4)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 114489-80-4(Hazardous Substances Data)

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• 26,26,26,27,27,27-HEXAFLUORO-1,23,25-TRIHYDROXYVITAMIN D3

  Cas No: 114489-80-4

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114489-80-4 Usage

Properties

synthetic derivative of vitamin D3, contains six fluorine atoms, increased potency and stability

Potential therapeutic applications

treatment of cancer, autoimmune disorders

Biological activities

anti-proliferative, pro-differentiating, immunomodulatory
Valuable tool for studying molecular mechanisms of vitamin D and its analogs

Check Digit Verification of cas no

The CAS Registry Mumber 114489-80-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,4,8 and 9 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 114489-80:
(8*1)+(7*1)+(6*4)+(5*4)+(4*8)+(3*9)+(2*8)+(1*0)=134
134 % 10 = 4
So 114489-80-4 is a valid CAS Registry Number.

InChI:InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20?,21-,22?,23?,24-/m1/s1

114489-80-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	(1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

1.2 Other means of identification

Product number	-
Other names	Bisperfluoronbutylethylene

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114489-80-4 SDS

114489-80-4Upstream product

• 167893-00-7 1α,3β-bis[(t-butyldimethylsilyl)oxy]-26,26,26,27,27,27-hexafluoro-23-oxo-9,10-secocholesta-5(Z),7(E),10(19)-trien-25-ol 
• 167892-97-9 1α,3β-bis[(t-butyldimethylsilyl)oxy]-20(S)-(n-propyl-23-oxo)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 167892-99-1 1α,3β-bis[(t-butyldimethylsilyl)oxy]-20(S)-(n-propyl-23-oxo)-9,10-secopregna-5(Z),7(E),10(19)-triene 
• 167892-96-8 1α-hydroxy-3β-[(t-butyldimethylsilyl)oxy]-20(S)-(n-propyl-23-oxo)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 167892-95-7 3β-[(t-butyldimethylsilyl)oxy]-20(S)-(propyl-23-oxo)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 167892-94-6 (R)-4-{(1R,3aS,7aR)-4-[2-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-pentan-2-ol 
• 167892-92-4 3β-[(t-butyldimethylsilyl)oxy]-20(S)-(cyanomethyl)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 167892-93-5 3β-[(t-butyldimethylsilyl)oxy]-20(S)-(formylmethyl)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 143884-24-6 (5E,7E,20S)-3β-(tert-butyldimethylsilyloxy)-20-(p-tolylsulfonyloxymethyl)-9,10-seco-5,7,10(19)-pregnatriene 
• 167893-01-8 1α,3β-bis[(t-butyldimethylsilyl)oxy]-26,26,26,27,27,27-hexafluoro-9,10-secocholesta-5(Z),7(E),10(19)-trien-23(S),25-diol 

114489-80-4Downstream Products

114489-80-4Relevant articles and documents

Synthesis and biological evaluations of C-23-modified 26,26,26,27,27,27-F6-vitamin D3 analogues

Ikeda, Masahiko,Matsumura, Haruki,Sawada, Nobuyuki,Hashimoto, Katsuhiro,Tanaka, Tomoyuki,Noguchi, Toshihiro,Hayashi, Masaji

, p. 1809 - 1817 (2007/10/03)

A convenient synthetic method which could allow flexible modification at C-23 of 26,26,26,27,27,27-hexafluoro-lα,25-dihydroxyvitamin D3 (3) has been developed. An effective construction of hexafluoroacetone (HFA) aldol part on the side chain of 10 was achieved by aldol reaction with HFA gas. This route is also attractive as an approach to diverse 26,27-modified vitamin D3 analogues. The preliminary biological activities of 23-modifed 26,27-F6 vitamin D3 analogues are evaluated. The potency of VDR affinities of the C-23-substituted analogues (keto group (4); OH group (5a,5b); fluorine atom (6a,6b); and oxetane ring (7a,7b)) was found to vary depending upon both the nature and stereochemistry of the substituents. In contrast, the HL-60 cell differentiation property was less varied than VDR affinity, and depended upon the nature rather than the stereochemistry of the substituents. Copyright (C) 2000 Elsevier Science Ltd.

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