R406 - ≥98% , CAS No.841290-81-1

CAS: 841290-81-1 Cat. No.: R126996 분자식: C₂₈H₂₉FN₆O₈S 분자량: 628.63 PubChem CID: 11984591

GRADE & PURITY ≥98%

Synonyms

N4-(2,2-dimethyl-3-oxo-4H-pyrid(1,4)oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | EX-A103-1 | N4-(2,2-dimethyl-3-oxo-4H-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | R406 Benzenesulfonate |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

R406 is a potent Syk inhibitor with IC50 of 41 nM, strongly inhibits Syk but not Lyn, 5-fold less potent to Flt3. Phase 1.
An IgE and IgG- mediated Fc signaling activation inhibitor.

Specifications

동의어

N4-(2,2-dimethyl-3-oxo-4H-pyrid(1,4)oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | EX-A103-1 | N4-(2,2-dimethyl-3-oxo-4H-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | R406 Benzenesulfonate |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

R406 is an inhibitor of IgE and IgG-mediated activation of Fc receptor signaling, stopping the production/release of LTC4, cytokines, and chemokines, including TNFα, IL-8, and GM-CSF. R406 inhibits phosphorylation of Syk substrate linker and blocks Syk-de

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

488197832

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197832

정식 스마일

CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O

IUPAC Name

benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

InChIKey

UXDRJPYSTZHIOE-UHFFFAOYSA-N

INCHI

1S/C22H23FN6O5.C6H6O3S/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;7-10(8,9)6-4-2-1-3-5-6/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30);1-5H,(H,7,8,9)

이성체 SMILES

CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID

11984591

분자량

628.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Halopyrimidines Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Aryl fluorides Imidolactams Sulfonyls Heteroaromatic compounds Organosulfonic acids Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Alkyl aryl ether - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Pyridine - Imidolactam - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: DMSO 126 mg/mL; Water <1 mg/mL; Ethanol 8 mg/mL
• 감도: Moisture sensitive.
• 분자량: 628.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 628.175 Da
• Monoisotopic Mass: 628.175 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 874.000
• 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

자주 묻는 질문

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 841290-81-1, the molecular formula is C28H29FN6O8S, and the molecular weight is 628.63 g/mol. InChIKey UXDRJPYSTZHIOE-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.