MedKoo Cat#: 555913 | Name: CC90001 free base
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Description:

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

CC-90001 is a potent and selective JNK inhibitor, which is 12.9-fold more potent for JNK1 inhibition than JNK2 in a cell-based model. CC90001 currently under clinical trials for the Treatment of Idiopathic Pulmonary Fibrosis.

Chemical Structure

CC90001 free base
CC90001 free base
CAS#1403859-14-2 (free base)

Theoretical Analysis

MedKoo Cat#: 555913

Name: CC90001 free base

CAS#: 1403859-14-2 (free base)

Chemical Formula: C16H27N5O2

Exact Mass: 321.2165

Molecular Weight: 321.43

Elemental Analysis: C, 59.79; H, 8.47; N, 21.79; O, 9.96

Price and Availability

Size Price Availability Quantity
25mg USD 1,450.00 2 Weeks
50mg USD 2,250.00 2 Weeks
100mg USD 3,750.00 2 Weeks
200mg USD 5,950.00 2 Weeks
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Related CAS #
1946833-77-7 (HCl) 1403859-14-2 (free base) 1946833-89-1 (tosylate) 1946833-91-5 (mesylate) 1946833-97-1 (tartarte) 1946833-81-3 (lactate) 1946833-85-7 (citrate) 1946833-97-1 (fumarate)
Synonym
CC-90001; CC 90001; CC90001;
IUPAC/Chemical Name
2-[(1,1-Dimethylethyl)amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-5-pyrimidinecarboxamide
InChi Key
QBBRJRLJWXRSHQ-CKYFFXLPSA-N
InChi Code
InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
SMILES Code
O=C(C1=CN=C(NC(C)(C)C)N=C1N[C@H]2C[C@@H](O)[C@H](C)CC2)N
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
>2 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
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 321.43 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
van der Velden JL, Alcorn JF, Chapman DG, Lundblad LKA, Irvin CG, Davis RJ, Butnor K, Janssen-Heininger YMW. Airway epithelial specific deletion of Jun-N-terminal kinase 1 attenuates pulmonary fibrosis in two independent mouse models. PLoS One. 2020 Jan 14;15(1):e0226904. doi: 10.1371/journal.pone.0226904. PMID: 31935227; PMCID: PMC6959564.