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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

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

Theoretical Analysis

MedKoo Cat#: 555913
Name: CC90001 free base
CAS#: 1403859-14-2 (free base)
Chemical Formula: C16H27N5O2
Exact Mass: 321.22
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
25mg USD 1450 2 Weeks
50mg USD 2250 2 Weeks
100mg USD 3750 2 Weeks
200mg USD 5950 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.