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126860-83-1,MFCD00872035
Catalog No.:AA009CA6

126860-83-1 | Mc1046

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1mg
98%
2 weeks  
$1,234.00   $864.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA009CA6
Chemical Name:
Mc1046
CAS Number:
126860-83-1
Molecular Formula:
C27H38O3
Molecular Weight:
410.5888
MDL Number:
MFCD00872035
SMILES:
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3[C@@H](/C=C/C(=O)C2CC2)C)C)/C1
Properties
Computed Properties
 
Complexity:
784  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
3  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
4.3  

Literature

Title: Binderup (1993) Comparison of calcipotriol with selected metabolites and analogues of vitamin D3: effects on cell growth regulation in vitro and calcium metabolism in vivo. Pharmacol.Toxicol. 72 240.

Title: Knutson et al (1997) Pharmacokinetics and systemic effect on calcium homeostasis of 1a,24-dihydroxyvitamin D2 in rats. Biochem.Pharmacol. 53 829.

Title: Wietrzyk et al (2007) Antitumor properties of diastereomeric and geometric analogs of vitamin D3. Anticancer Drugs 18 447.111

Title: P.J. Marie, D. Connes, M. Hott, L. Miravet. Comparative effects of a novel Vitamin D Analogue MC-903 and 1,25-dihydroxyvitamin D3 on alkaline phosphatase activity, osteocalcin and DNA synthesis by human osteoblastic cells in culture. Bone. Volume 11, Issue 3, 1990, Pages 171-179

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SDS
Tags:126860-83-1 Molecular Formula|126860-83-1 MDL|126860-83-1 SMILES|126860-83-1 Mc1046