APS-2-79 - ≥98% , CAS No.2002381-31-7

CAS: 2002381-31-7 Cat. No.: A275508 Formula: C₂₃H₂₂ClN₃O₃ Molecular Weight: 423.89 EC Number: 110-852-6

GRADE & PURITY ≥98%

Synonyms

6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine hydrochloride | 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-aminehydrochloride

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Shipped at 4°C. Store at -20°C. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine hydrochloride | 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-aminehydrochloride

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

APS-2-79 is a stabilizer of the Kinase suppressor of Ras (KSR) inactive state, resulting in inhibition of oncogenic Ras signaling, antagonizing the Ras–MAPK pathway. KSR is a MAPK scaffold that is regulated allosterically by dimerization with RAF. APS-2-7

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772964
• Canonical Smiles: CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC.Cl
• IUPAC Name: 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;hydrochloride
• InChIKey: LIXKSHWZJNNZHG-UHFFFAOYSA-N
• INCHI: 1S/C23H21N3O3.ClH/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23;/h4-14H,1-3H3,(H,24,25,26);1H
• Molecular Weight: 423.89
• Reaxy-Rn: 33754141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33754141&ln=

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 228.83mM and in Ethanol to 75.49 mM
• Molecular Weight: 423.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 423.135 Da
• Monoisotopic Mass: 423.135 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 502.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2002381-31-7, the molecular formula is C23H22ClN3O3, and the molecular weight is 423.89 g/mol. InChIKey LIXKSHWZJNNZHG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.