P-gp modulator 1

P-gp modulator 1 is a high affinity, orally available modulator of P-glycoprotein (Pgp), can reverse the Pgp-mediated multidrug resistance ((MDR).

Product information

CAS Number: 2249749-39-9

Molecular Weight: 689.02

Formula: C41H72N2O6

Chemical Name: tert-butyl N-(5-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-5a,9b,11a-trihydrogenio-11-hydroxy-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]carbamoyl}pentyl)carbamate

Smiles: CC(C)(C)OC(=O)NCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)C1(C)C

InChiKey: VDINNMXEKZJEKS-OVMOOWNWSA-N

InChi: InChI=1S/C41H72N2O6/c1-35(2,3)49-34(46)42-24-14-12-13-15-32(45)43-30-18-20-38(8)28(36(30,4)5)17-22-39(9)29(38)25-27(44)33-26(16-21-40(33,39)10)41(11)23-19-31(48-41)37(6,7)47/h26-31,33,44,47H,12-25H2,1-11H3,(H,42,46)(H,43,45)/t26-,27+,28-,29+,30-,31+,33-,38-,39+,40+,41-/m0/s1

Technical Data

Appearance: Solid Power

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

Solubility: Soluble in DMSO

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

References:

1. Ren Q, et al. Design, synthesis, and discovery of ocotillol-type amide derivatives as orally available modulators of P-glycoprotein-mediated multidrug resistance. Eur J Med Chem. 2019 Jan 1;161:118-130.

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