MedKoo Cat#: 126613 | Name: CDK12-IN-5
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Description:

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

CDK12-IN-5, a pyrazolotriazine, is a potent CDK12 inhibitor with an IC50 of 23.9 nM at high ATP (2 mM).

Chemical Structure

CDK12-IN-5
CDK12-IN-5
CAS#2651200-35-8

Theoretical Analysis

MedKoo Cat#: 126613

Name: CDK12-IN-5

CAS#: 2651200-35-8

Chemical Formula: C18H15F5N8O

Exact Mass: 454.1289

Molecular Weight: 454.37

Elemental Analysis: C, 47.58; H, 3.33; F, 20.91; N, 24.66; O, 3.52

Price and Availability

Size Price Availability Quantity
50mg USD 1,650.00 2 Weeks
100mg USD 2,450.00 2 Weeks
500mg USD 4,950.00 2 Weeks
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Related CAS #
No Data
Synonym
CDK12-IN-5; CDK12 IN 5; CDK12IN5; CDK12IN-5
IUPAC/Chemical Name
N-((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-2-morpholino-8-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
InChi Key
XFZQHKMIWRKKCU-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H15F5N8O/c19-10-1-2-11-14(13(10)20)27-12(26-11)8-24-16-29-17(30-3-5-32-6-4-30)28-15-9(18(21,22)23)7-25-31(15)16/h1-2,7H,3-6,8H2,(H,26,27)(H,24,28,29)
SMILES Code
FC(C1=C2N(N=C1)C(NCC3=NC4=CC=C(F)C(F)=C4N3)=NC(N5CCOCC5)=N2)(F)F
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 454.37 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
Kai Thede, et al. Pyrazolotriazines. WO2021116178A1.