MedKoo Cat#: 462387 | Name: CDK9-IN-9

Description:

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

CDK9-IN-9 is a potent and selective CDK9 inhibitor that has has anti-cancer activity.

Chemical Structure

CDK9-IN-9
CAS#2246956-84-1

Theoretical Analysis

MedKoo Cat#: 462387

Name: CDK9-IN-9

CAS#: 2246956-84-1

Chemical Formula: C22H23F2N5O2S

Exact Mass: 459.1541

Molecular Weight: 459.52

Elemental Analysis: C, 57.50; H, 5.05; F, 8.27; N, 15.24; O, 6.96; S, 6.98

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Synonym
CDK9-IN-9; CDK9 IN 9; CDK9 IN-9; CDK9-IN 9
IUPAC/Chemical Name
((14,25-difluoro-5-oxa-3,10-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclodecaphane-45-yl)methyl)(imino)(methyl)-l6-sulfanone
InChi Key
PNHBMABVSBQFDU-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H23F2N5O2S/c1-32(25,30)13-14-8-16-11-17(9-14)31-7-3-2-6-26-20-10-15(4-5-18(20)23)21-19(24)12-27-22(28-16)29-21/h4-5,8-12,25-26H,2-3,6-7,13H2,1H3,(H,27,28,29)
SMILES Code
FC1=CN=C(NC2=CC(CS(C)(=O)=N)=CC3=C2)N=C1C4=CC(NCCCCO3)=C(F)C=C4
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 459.52 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: Ulrich LÜCKING, et al. Novel ptefb inhibiting macrocyclic compounds. WO2018177889A1.