Dagrocorat

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

MedKoo CAT#: 319642

CAS#: 1044535-52-5

Description: Dagrocorat, also known as PF-00251802, is a glucocorticoid receptor agonist and potential useful for anti-inflammatory diseases.


Chemical Structure

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Dagrocorat
CAS# 1044535-52-5

Theoretical Analysis

MedKoo Cat#: 319642
Name: Dagrocorat
CAS#: 1044535-52-5
Chemical Formula: C29H29F3N2O2
Exact Mass: 494.2181
Molecular Weight: 494.5582
Elemental Analysis: C, 70.43; H, 5.91; F, 11.52; N, 5.66; O, 6.47

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Synonym: PF-00251802; PF 00251802; PF00251802; PF-251802; PF 251802; PF251802; Dagrocorat.

IUPAC/Chemical Name: (4bR,7S,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide

InChi Key: QJJBNCHSWFGXML-QPVYNBJUSA-N

InChi Code: InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27-,28+/m1/s1

SMILES Code: FC([C@]1(O)CC[C@]2(CC3=CC=CC=C3)C4=CC=C(C(NC5=CC=CN=C5C)=O)C=C4CC[C@]2([H])C1)(F)F

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, not in water

Shelf Life: >2 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 494.5582 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

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