CCR2 antagonist 1 is a high-affinity and long-residence-time CCR2 antagonist, with a Ki of 2.4 nM.

Product information

CAS Number: 1683534-96-4

Molecular Weight: 549.47

Formula: C28H32BrF3N2O

Chemical Name: (1R)-5-bromo-N-[(1R,3S)-3-(propan-2-yl)-3-[7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]cyclopentyl]-2,3-dihydro-1H-inden-1-amine

Smiles: CC(C)[C@]1(C[C@@H](CC1)N[C@@H]1CCC2C=C(Br)C=CC=21)C(=O)N1CC2C=C(C=CC=2CC1)C(F)(F)F

InChiKey: QYDUEIJZRKTNKN-HYZYYIOASA-N

InChi: InChI=1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25-,27+/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 125 mg/mL (227.49 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

The combination of SAR and SKR in the hit-to-lead process results in the discovery of a new higheaffinity and longeresidenceetime CCR2 antagonist (CCR2 antagonist 1 (compound 15a), Ki=2.4 nM; RT=714 min).

Products are for research use only. Not for human use.