CC90005
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 465273

CAS#: 1799574-70-1

Description: CC90005 is a Selective Protein Kinase C‑θ Kinase Inhibitor (IC50 = 8 nM).

Chemical Structure

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CC90005
CAS# 1799574-70-1
Instruction

Theoretical Analysis

MedKoo Cat#: 465273
Name: CC90005
CAS#: 1799574-70-1
Chemical Formula: C21H27F2N7O2
Exact Mass: 447.22
Molecular Weight: 447.491
Elemental Analysis: C, 56.37; H, 6.08; F, 8.49; N, 21.91; O, 7.15

Price and Availability

Size Price Availability Quantity
5mg USD 1750 2 Weeks
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Synonym: CC90005; CC 90005; CC-90005;

IUPAC/Chemical Name: 2-(((4-(2,2-difluoropropoxy)pyrimidin-5-yl)methyl)amino)-4-(((1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl)amino)pyrimidine-5-carbonitrile

InChi Key: FMKGJQHNYMWDFJ-CVEARBPZSA-N

InChi Code: InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1

SMILES Code: N#CC1=CN=C(NCC2=CN=CN=C2OCC(F)(F)C)N=C1N[C@H]3CC(C)(C)[C@@H](O)CC3

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: 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 447.49 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Papa P, Whitefield B, Mortensen DS, Cashion D, Huang D, Torres E, Parnes J, Sapienza J, Hansen J, Correa M, Delgado M, Harris R, Hegde S, Norris S, Bahmanyar S, Plantevin-Krenitsky V, Liu Z, Leftheris K, Kulkarni A, Bennett B, Hur EM, Ringheim G, Khambatta G, Chan H, Muir J, Blease K, Burnett K, LeBrun L, Morrison L, Celeridad M, Khattri R, Cathers BE. Discovery of the Selective Protein Kinase C-θ Kinase Inhibitor, CC-90005. J Med Chem. 2021 Aug 6. doi: 10.1021/acs.jmedchem.1c00388. Epub ahead of print. PMID: 34355886.