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MedKoo Cat#: 462325 | Name: NVS-PAK1-C
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Description:

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

NVS-PAK1-C is a potent, ATP-competitive and specific allosteric PAK1 inhibitor probe.

Chemical Structure

NVS-PAK1-C
NVS-PAK1-C
CAS#2250019-95-3

Theoretical Analysis

MedKoo Cat#: 462325

Name: NVS-PAK1-C

CAS#: 2250019-95-3

Chemical Formula: C23H25ClF3N5O

Exact Mass: 479.1700

Molecular Weight: 479.93

Elemental Analysis: C, 57.56; H, 5.25; Cl, 7.39; F, 11.88; N, 14.59; O, 3.33

Price and Availability

Size Price Availability Quantity
5mg USD 325.00 2 Weeks
25mg USD 950.00 2 Weeks
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Related CAS #
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Synonym
NVS-PAK1-C; NVS PAK1-C; NVS PAK1 C; NVS-PAK1 C
IUPAC/Chemical Name
(3S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide
InChi Key
OINGHOPGNMYCAB-INIZCTEOSA-N
InChi Code
InChI=1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1
SMILES Code
CC(C)NC(=O)N1CCC(C1)NC2=NC3=C(C=CC(=C3)F)N(C4=C2C=C(C=C4)Cl)CC(F)F
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
NVS-PAK1-C is a potent, ATP-competitive and specific allosteric PAK1 inhibitor probe with IC50 values of 5 nM and 6 nM for dephosphorylated PAK1 and phosphorylated PAK1.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMF 50.0 104.18
DMSO 50.0 104.18
DMSO:PBS (pH 7.2) (1:1) 0.5 1.04
Ethanol 20.0 41.67
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 479.93 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:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Karpov AS, Amiri P, Bellamacina C, et al. Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. ACS Med Chem Lett. 2015;6(7):776-781. Published 2015 May 22. doi:10.1021/acsmedchemlett.5b00102