MedKoo Cat#: 465273 | Name: CC90005
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Description:

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

​CC-90005 is a potent and selective small-molecule inhibitor of protein kinase C-theta (PKC-θ), exhibiting an IC₅₀ of 8 nM. It demonstrates remarkable selectivity over PKC-δ, with an IC₅₀ of 4,440 nM, indicating over 500-fold preference for PKC-θ. Preclinical studies have shown that CC-90005 effectively inhibits T cell activation by suppressing IL-2 expression, positioning it as a promising candidate for therapeutic applications in T cell-mediated autoimmune diseases.

Chemical Structure

CC90005
CC90005
CAS#1799574-70-1

Theoretical Analysis

MedKoo Cat#: 465273

Name: CC90005

CAS#: 1799574-70-1

Chemical Formula: C21H27F2N7O2

Exact Mass: 447.2194

Molecular Weight: 447.49

Elemental Analysis: C, 56.37; H, 6.08; F, 8.49; N, 21.91; O, 7.15

Price and Availability

Size Price Availability Quantity
1mg USD 950.00 2 Weeks
5mg USD 1,900.00 2 Weeks
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Related CAS #
No Data
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

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
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. 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. Correction to "Discovery of the Selective Protein Kinase C-θ Kinase Inhibitor, CC-90005". J Med Chem. 2024 Dec 26;67(24):22344. doi: 10.1021/acs.jmedchem.4c02898. Epub 2024 Dec 12. Erratum for: J Med Chem. 2021 Aug 26;64(16):11886-11903. doi: 10.1021/acs.jmedchem.1c00388. PMID: 39665782.