MedKoo Cat#: 462333 | Name: CDK4/6/1 Inhibitor

Description:

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

CDK4/6/1 Inhibitor is a CDK4/6 inhibitor. It is a potent anti-proliferative agent that arrests U87MG cell line exclusively in G1. CDK4/6/1 Inhibitor has tumor growth inhibition values ranging from 62% to 99%.

Chemical Structure

CDK4/6/1 Inhibitor
CAS#2099128-41-1

Theoretical Analysis

MedKoo Cat#: 462333

Name: CDK4/6/1 Inhibitor

CAS#: 2099128-41-1

Chemical Formula: C28H30F2N6

Exact Mass: 488.2500

Molecular Weight: 488.59

Elemental Analysis: C, 68.83; H, 6.19; F, 7.78; N, 17.20

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Synonym
CDK4/6/1 Inhibitor; crozbaciclib
IUPAC/Chemical Name
5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indol]-5'-yl)-N-(5-(1-methylpiperidin-4-yl)pyridin-2-yl)pyrimidin-2-amine
InChi Key
AEFFENQISAXIKE-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
SMILES Code
CC(C1(CCCC1)C2=CC(C3=NC(NC4=CC=C(C5CCN(C)CC5)C=N4)=NC=C3F)=C6)=NC2=C6F
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
Shelf Life
>3 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 488.59 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
1: Yin L, Li H, Liu W, et al. A highly potent CDK4/6 inhibitor was rationally designed to overcome blood brain barrier in gliobastoma therapy. Eur J Med Chem. 2018;144:1-28. doi:10.1016/j.ejmech.2017.12.003