MedKoo Cat#: 126195 | Name: C3TD879

Description:

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

C3TD879 is a Citron kinase (CITK) inhibitor. C3TD879 is a Type I kinase inhibitor which potently inhibits CITK catalytic activity (biochemical IC50 = 12 nM), binds directly to full-length human CITK in cells (NanoBRET Kd < 10 nM), and demonstrates favorable DMPK properties for in vivo evaluation. We engineered exquisite selectivity for CITK (>17-fold versus 373 other human kinases), making C3TD879 the first chemical probe suitable for interrogating the complex biology of CITK.

Chemical Structure

C3TD879
C3TD879
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 126195

Name: C3TD879

CAS#: N/A

Chemical Formula: C22H28N4O

Exact Mass: 364.2263

Molecular Weight: 364.49

Elemental Analysis: C, 72.50; H, 7.74; N, 15.37; O, 4.39

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
C3TD879; C3TD 879; C3TD-879
IUPAC/Chemical Name
(R)-2-amino-4,4-dimethyl-N-(3-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)pentanamide
InChi Key
ODOJVROSIRINJT-LJQANCHMSA-N
InChi Code
InChI=1S/C22H28N4O/c1-13-10-15(26-21(27)19(23)12-22(3,4)5)6-7-16(13)17-8-9-24-20-18(17)11-14(2)25-20/h6-11,19H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t19-/m1/s1
SMILES Code
O=C([C@H](N)CC(C)(C)C)NC1=CC=C(C2=C3C(NC(C)=C3)=NC=C2)C(C)=C1
Appearance
To be determined
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 364.49 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
Maw JJ, Coker JA, Arya T, Goins CM, Sonawane D, Han SH, Rees MG, Ronan MM, Roth JA, Wang NS, Heemers HV, Macdonald JD, Stauffer SR. Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J Med Chem. 2024 Feb 8. doi: 10.1021/acs.jmedchem.3c01807. Epub ahead of print. PMID: 38330278.