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MedKoo Cat#: 565349 | Name: DDR1-IN-2.45

Description:

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

DDR1-IN-2.45 is a DDR1 inhibitor which possesses excellent kinome selectivity (64-fold selectivity over DDR2), a clean in vitro safety profile, and favorable pharmacokinetic and physicochemical properties.

Chemical Structure

DDR1-IN-2.45
DDR1-IN-2.45
CAS#2125676-13-1

Theoretical Analysis

MedKoo Cat#: 565349

Name: DDR1-IN-2.45

CAS#: 2125676-13-1

Chemical Formula: C23H20BrF3N6O3

Exact Mass: 564.0732

Molecular Weight: 565.35

Elemental Analysis: C, 48.86; H, 3.57; Br, 14.13; F, 10.08; N, 14.87; O, 8.49

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
DDR1 inhibitor 2.45; DDR1 IN-2.45; DDR1-IN 2.45; DDR1-IN-2.45
IUPAC/Chemical Name
2-(4-Bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indoline-3,4'-piperidin]-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
InChi Key
UXEXYURPAPXPSR-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H20BrF3N6O3/c24-13-2-1-3-17-19(13)22(21(36)33(17)11-18(34)28-12-23(25,26)27)6-8-32(9-7-22)20(35)15-5-4-14-16(30-15)10-29-31-14/h1-5,10H,6-9,11-12H2,(H,28,34)(H,29,31)
SMILES Code
O=C(NCC(F)(F)F)CN1C(C2(CCN(C(C3=CC=C(NN=C4)C4=N3)=O)CC2)C5=C1C=CC=C5Br)=O
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 565.35 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: Richter H, Satz AL, Bedoucha M, Buettelmann B, Petersen AC, Harmeier A, Hermosilla R, Hochstrasser R, Burger D, Gsell B, Gasser R, Huber S, Hug MN, Kocer B, Kuhn B, Ritter M, Rudolph MG, Weibel F, Molina-David J, Kim JJ, Santos JV, Stihle M, Georges GJ, Bonfil RD, Fridman R, Uhles S, Moll S, Faul C, Fornoni A, Prunotto M. DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. ACS Chem Biol. 2019 Jan 18;14(1):37-49. doi: 10.1021/acschembio.8b00866. Epub 2018 Dec 16. PubMed PMID: 30452219; PubMed Central PMCID: PMC6343110.