WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462115
CAS#: 265989-46-6 (calcium)
Description: PD152873, also known as 2-hydroxy Atorvastatin, is an active metabolite of the HMG-CoA reductase inhibitor atorvastatin.1 2-hydroxy Atorvastatin is formed from atorvastatin by the cytochrome P450 (CYP) isoform CYP3A4. It inhibits lipid hydroperoxide formation and copper sulfate-induced thiobarbituric acid reactive substances (TBARS) formation in 1,2-dilinoleoyl-sn-glycero-3-PC (DLPC) vesicles and human LDL, respectively, in a concentration-dependent manner.
Hodoodo Cat#: H462115
Name: PD152873 calcium
CAS#: 265989-46-6 (calcium)
Chemical Formula: C66H68CaF2N4O12
Exact Mass: 1,186.44
Molecular Weight: 1,187.361
Elemental Analysis: C, 66.76; H, 5.77; Ca, 3.38; F, 3.20; N, 4.72; O, 16.17
Related CAS #: 214217-86-4 (free acid) 265989-46-6 (calcium)
Synonym: 2-hydroxy Atorvastatin (calcium salt); o-hydroxy Atorvastatin; ortho-hydroxy Atorvastatin; BMS 243887-01; PD 152873; PD-152873; PD152873;
IUPAC/Chemical Name: calcium (3R,5R)-7-(2-(4-fluorophenyl)-4-((2-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
InChi Key: NOCWNJZXNVSDOU-LBSXWHBJSA-L
InChi Code: InChI=1S/2C33H35FN2O6.Ca/c2*1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;/h2*3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;;+2/p-2/t2*24-,25-;/m11./s1
SMILES Code: O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4O.O=C(C5=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C6=CC=C(F)C=C6)=C5C7=CC=CC=C7)NC8=CC=CC=C8O.[Ca+2]
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: 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
More Info:
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The following data is based on the product molecular weight 1,187.36 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 |
| Formulation protocol: | |
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| In vivo protocol: |
1: Park, J.-E., Kim, K.-B., Bae, S.K., et al. Contribution of cytochrome P450 3A4 and 3A5 to the metabolism of atorvastatin. Xenobiotica 38(9), 1240-1251 (2008).
2: Mason, R.P., Walter, M.F., Day, C.A., et al. Active metabolite of atorvastatin inhibits membrane cholesterol domain formation by an antioxidant mechanism. J. Biol. Chem. 281(14), 9337-9345 (2006).
3: Guirao, V., Martí-Sistac, O., DeGregorio-Rocasolano, N., et al. Specific rescue by ortho-hydroxy atorvastatin of cortical GABAergic neurons from previous oxygen/glucose deprivation: Role of pCREB. J. Neurochem. 143(3), 359-374 (2017).
