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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34F5NO4
Molecular Weight 519.5445
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PEFCALCITOL

SMILES

[H][C@@]12CC=C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)[C@@]1(C)CCC\C2=C/C=C3/C[C@@H](O)C[C@H](O)C3=C

InChI

InChIKey=SVCSMAZYWOQCBW-NVJMFHFGSA-N
InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34F5NO4
Molecular Weight 519.5445
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Description

Pefcalcitol (previously known as M518101), an analog of vitamin D3 (VD3), is an antipsoriatic drug candidate that is designed to achieve much higher pharmacological effects, such as keratinocyte differentiation. This drug is a phosphodiesterase inhibitor and is being developed as a topical ointment formulation. Pefcalcitol was involved in phase III clinical trials in the USA and in Japan in subjects with plaque psoriasis and with palmoplantar keratoderma. In addition, it participated in phase II clinical trial for the warts treatment.

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
Psoriasis: proper quantity twice daily
Route of Administration: Topical
Substance Class Chemical
Record UNII
KT5224XSHW
Record Status Validated (UNII)
Record Version