Dagrocorat hydrochloride - ≥99% , CAS No.1044535-61-6

CAS: 1044535-61-6 Cat. No.: D646364 分子式: C₂₉H₃₀ClF₃N₂O₂ 分子量: 531.01 PubChem CID: 25157943

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Dagrocorat (PF-00251802) hydrochloride is an orally active and selective high-affinity partial agonist of the glucocorticoid receptor . Dagrocorat hydrochloride is also a time-dependent reversible inhibitor of CYP3A ( IC 50 =1.3 μM in human liver microsomes) and CYP2D6 ( K i =0.57 μM in human liver microsomes). Dagrocorat hydrochloride can be used for the research of rheumatoid arthritis

In Vitro

Dagrocorat hydrochloride is metabolized by cytochrome P450 (CYP)3A to an N-oxide metabolite. Dagrocorat hydrochloride is a reversible inhibitor of several CYPs, such as CYP3A and CYP2D6. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CYP3A CYP2D6

Specifications

仕様と純度

≥99%

生化学的・生理学的メカニズム

Dagrocorat (PF-00251802) hydrochloride is an orally active and selective high-affinity partial agonist of the glucocorticoid receptor . Dagrocorat hydrochloride is also a time-dependent reversible inhibitor of CYP3A ( IC 50 =1.3 μM in human liver microsom

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

純度

≥99%

名前と識別子

• 異性体SMILES: CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)[C@@]4(CC[C@@](C[C@H]4CC3)(C(F)(F)F)O)CC5=CC=CC=C5.Cl
• PubChem CID: 25157943
• 分子量: 531.01

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (188.32 mM; ultrasonic and warming and heat to 60°C)
• 分子量: 531.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 530.195 Da
• Monoisotopic Mass: 530.195 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 785.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3