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MedKoo Cat#: 576923 | Name: MC-1046

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MC-1046 is a metabolite of Calcipotriol.

Chemical Structure

MC-1046
MC-1046
CAS#126860-83-1

Theoretical Analysis

MedKoo Cat#: 576923

Name: MC-1046

CAS#: 126860-83-1

Chemical Formula: C27H38O3

Exact Mass: 410.2821

Molecular Weight: 410.60

Elemental Analysis: C, 78.98; H, 9.33; O, 11.69

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Calcipotriol, anhydrous impurity A; Calcipotriol, anhydrous specified impurity A; MC-1046; MC 1046; MC1046
IUPAC/Chemical Name
9,10-Secochola-5,7,10(19),22-tetraen-24-one, 24-cyclopropyl-1,3-dihydroxy-, (1alpha,3beta,5Z,7E,22E)-
InChi Key
KKDBQSPKXAUHPH-NRCQPIEOSA-N
InChi Code
InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1
SMILES Code
C[C@H](\C=C\C(=O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 410.60 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Huovinen J, Haj Hussain M, Niemelä M, Laaksonen S, Voipio HM, Jyrkäs J, Mannila J, Lassila T, Tolonen A, Turunen S, Bergmann U, Lehenkari P, Huhtakangas JA. Pharmacokinetics of intra-articular vitamin D analogue calcipotriol in sheep and metabolism in human synovial and mesenchymal stromal cells. J Steroid Biochem Mol Biol. 2019 Apr;188:172-184. doi: 10.1016/j.jsbmb.2018.12.006. Epub 2018 Dec 15. PMID: 30562554. 2. Masuda S, Strugnell S, Calverley MJ, Makin HL, Kremer R, Jones G. In vitro metabolism of the anti-psoriatic vitamin D analog, calcipotriol, in two cultured human keratinocyte models. J Biol Chem. 1994 Feb 18;269(7):4794-803. PMID: 8106449.