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MedKoo Cat#: 319642 | Name: Dagrocorat

Description:

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

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

Chemical Structure

Dagrocorat
Dagrocorat
CAS#1044535-52-5 (free base)

Theoretical Analysis

MedKoo Cat#: 319642

Name: Dagrocorat

CAS#: 1044535-52-5 (free base)

Chemical Formula: C29H29F3N2O2

Exact Mass: 494.2181

Molecular Weight: 494.56

Elemental Analysis: C, 70.43; H, 5.91; F, 11.52; N, 5.66; O, 6.47

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 #
1044535-52-5 (free base) 1044535-61-6 (HCl)
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 494.56 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