IUPAC/Chemical Name
9,10-Secoergosta-5,7,10(19)-trien-1-one, 3,25-dihydroxy-, (3beta,5Z,7E)-
InChi Key
VJDIEVNLNBFADS-RXMQRELXSA-N
InChi Code
InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-25,29,31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19+,23+,24-,25+,28-/m1/s1
SMILES Code
C[C@H](C(C)(O)C)CC[C@@H](C)[C@H]([C@]1(CCC/2)C)CC[C@@]1([H])C2=C\C=C3C[C@H](O)CC(C\3=C)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
428.66
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.
| 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: Rougereau A, Person O, Rougereau G, Sallerin T, Hellegouarch R. Serum levels of carcinomedin (1-keto-24-methyl-25-hydroxycholecalciferol) as an indicator of the progression of cancer. Preliminary results of a prospective study. Int J Vitam Nutr Res. 1988;58(4):381-6. PMID: 3243690.
2: Rougereau A, Person O, Rougereau G. Fat soluble vitamins and cancer localization associated to an abnormal ketone derivative of D3 vitamin: carcinomedin. Int J Vitam Nutr Res. 1987;57(4):367-73. PMID: 3440711.
3: Rougereau A, Person O, Rougereau G. Presence in human serum, associated with cancer, of an abnormal cholecalciferol derivative, the 1-ceto-24-methyl-25-hydroxycholecalciferol. Preliminary results of a prospective study. Int J Vitam Nutr Res. 1987;57(1):25-9. PMID: 3583592.
4: Rougereau A, Person O, Rougereau G. Isolation from the serum of cancer patients and molecular structure determination of a ketone derivative of D3 vitamin. Int J Vitam Nutr Res. 1987;57(1):19-23. PMID: 3583591.
5: Rougereau A, Sallerin T, Chapet J, Robin JC, Rougereau G. Traitement adjuvant de sujets atteints de lésions néoplasiques par l'association d'un complexe vitaminique et d'un acide aminé. A propos d'une série de 17 carcinomes épidermoïdes des voies aérodigestives supérieures [Adjuvant treatment of patients with neoplastic lesions using the combination of a vitamin complex and an amino acid. Apropos of a series of 17 cases of epidermoid carcinoma of the upper aerodigestive tract]. Ann Gastroenterol Hepatol (Paris). 1993 Mar- Apr;29(2):99-102. French. PMID: 8489196.
