MedKoo Cat#: 533592 | Name: VU6015929 HCl

Description:

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

VU6015929 is a novel selective discoidin domain receptor 1/2 (DDR1/2) inhibitor, potently blocking collagen-induced DDR1 activation and collagen-IV production.

Chemical Structure

VU6015929 HCl
VU6015929 HCl
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 533592

Name: VU6015929 HCl

CAS#: N/A

Chemical Formula: C24H20ClF4N5O2

Exact Mass: 0.0000

Molecular Weight: 521.90

Elemental Analysis: C, 55.23; H, 3.86; Cl, 6.79; F, 14.56; N, 13.42; O, 6.13

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 #
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Synonym
VU6015929; VU-6015929; VU 6015929; VU6015929 HCl; VU6015929 hydrochloride
IUPAC/Chemical Name
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide hydrochloride
InChi Key
QGTJUIQZHZUHQG-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H19F4N5O2.ClH/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28;/h2-12,14,30H,13H2,1H3,(H,31,34);1H
SMILES Code
O=C(NC1=CC=CC(OC(F)(F)F)=C1)C2=CC=C(F)C(NCC3=CC(C4=NN(C)C=C4)=CN=C3)=C2.[H]Cl
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 521.90 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
Nada H, Lee K, Gotina L, Pae AN, Elkamhawy A. Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches. Comput Biol Med. 2022 Mar;142:105217. doi: 10.1016/j.compbiomed.2022.105217. Epub 2022 Jan 6. PMID: 35032738.