CC90001 free base

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

MedKoo CAT#: 555913

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

Description: 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
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: 321.425
Elemental Analysis: C, 59.79; H, 8.47; N, 21.79; O, 9.96

Price and Availability

Size Price Availability Quantity
25.0mg USD 1450.0 2 Weeks
50.0mg USD 2150.0 2 Weeks
100.0mg USD 2850.0 2 Weeks
200.0mg USD 3650.0 2 Weeks
500.0mg USD 5950.0 2 Weeks
1.0g USD 9850.0 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: 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

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

Preparing Stock Solutions

The following data is based on the product molecular weight 321.425 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

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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.