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Lexacalcitol

CAT: 0013-GTR19203648-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203648-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lexacalcitol is a potent synthetic vitamin D analog, exhibiting over 100-fold greater activity than 1α,25-dihydroxyvitamin D3 in in vitro assays measuring cell differentiation and proliferation inhibition. It is a valuable research tool for studying vitamin D receptor signaling in cancer biology and dermatology research, with applications in both cellular and animal models.
CAS Number
131875-08-6
Field of Research
Metabolism Research
Smiles
[H][C@@]12CC[C@H] ([C@@H] (C) OCCCC (O) (CC) CC) [C@@]1 (C) CCC\C2=C/C=C1/C[C@@H] (O) C[C@H] (O) C1=C
Molecular Formula
C29H48O4
Molecular Weight
460.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lexacalcitol

Lexacalcitol is a solid. This compound belongs to the vitamin D and derivatives class of chemicals. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. It is known to target the vitamin D3 receptor.

CAS Number131875-08-6
PubChem CID5288670
IUPAC Nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular FormulaC29H48O4
Molecular Weight460.7
XLogP4.9
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity734
SMILES
CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1
InChIKey
KLZOTDOJMRMLDX-YBBVPDDNSA-N
Chemical Structure
2D Structure
2D structure of Lexacalcitol
CAS: 131875-08-6
CID: 5288670
Formula: C29H48O4
MW: 460.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass460.35526001
Monoisotopic Mass460.35526001
Topological Polar Surface Area69.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA9277-1Lexacalcitol
A11482-25Lexacalcitol 25mg
A11482-1Lexacalcitol 1mg
A11482-50Lexacalcitol 50mg
A11482-10Lexacalcitol 10mg
A11482-5Lexacalcitol 5mg

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