MedKoo Cat#: 462469 | Name: CDK4/6-IN-4
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Description:

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

CDK4/6-IN-4, the active metabolite of Abemaciclib, is a selective CDK4/6 inhibitor for the treatment of cancer.

Chemical Structure

CDK4/6-IN-4
CAS#2138499-06-4

Theoretical Analysis

MedKoo Cat#: 462469

Name: CDK4/6-IN-4

CAS#: 2138499-06-4

Chemical Formula: C27H32F2N8O

Exact Mass: 522.2667

Molecular Weight: 522.60

Elemental Analysis: C, 62.05; H, 6.17; F, 7.27; N, 21.44; O, 3.06

Price and Availability

Size Price Availability Quantity
5mg USD 300.00 2 Weeks
10mg USD 530.00 2 Weeks
25mg USD 950.00 2 Weeks
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Related CAS #
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Synonym
CDK4/6-IN-4; CDK4/6 IN 4; CDK4/6 IN-4; CDK4/6-IN 4; Abemaciclib metabolite M20
IUPAC/Chemical Name
(6-(2-((5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)amino)-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-1H-benzo[d]imidazol-2-yl)methanol
InChi Key
KUJBDJBMXOTNIT-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H32F2N8O/c1-4-35-7-9-36(10-8-35)15-18-5-6-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37(17(2)3)24(16-38)33-26/h5-6,11-14,17,38H,4,7-10,15-16H2,1-3H3,(H,30,31,32,34)
SMILES Code
OCC1=NC2=C(F)C=C(C3=NC(NC4=NC=C(CN5CCN(CC)CC5)C=C4)=NC=C3F)C=C2N1C(C)C
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 522.60 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: Richard Paul Beckmann, et al. Combination therapy with notch and cdk4/6 inhibitors for the treatment of cancer. WO2017180389A1.