CYT997 (Lexibulin) - ≥95% , Tubulin inhibitor, CAS No.917111-44-5, Tubulin inhibitor

CAS: 917111-44-5 Cat. No.: C129752 Formule: C₂₄H₃₀N₆O₂ Poids moléculaire: 434.53

GRADE & PURITY ≥95%

Synonyms

NCGC00346574-01 | Lexibulin [USAN:INN] | 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]phenyl]urea | MTJHLONVHHPNSI-IBGZPJMESA-N | SCHEMBL1122311 | CHEBI:95005 | CYT997 (Lexibulin) | VAMACTIVE 47 | lexibulin (CYT997) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

NCGC00346574-01 | Lexibulin [USAN:INN] | 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]phenyl]urea | MTJHLONVHHPNSI-IBGZPJMESA-N | SCHEMBL1122311 | CHEBI:95005 | CYT997 (Lexibulin) | VAMACTIVE 47 | lexibulin (CYT997) |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Tubulin inhibitor

Pureté

≥95%

Propriétés du produit

• ALogP: 3.6

Noms et identifiants

• Pubchem Sid: 504766325
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766325
• Sourires canoniques: CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC
• IUPAC Name: 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
• InChIKey: MTJHLONVHHPNSI-IBGZPJMESA-N
• INCHI: 1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
• Isomères SMILES: CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC
• Poids moléculaire: 434.53
• Reaxy-Rn: 30554693
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30554693&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Secondary alkylarylamines Imidolactams Pyridines and derivatives Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Pyridine - Heteroaromatic compound - Urea - Carbonic acid derivative - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 87 mg/mL Water <1 mg/mL Ethanol 20 mg/mL
• Poids moléculaire: 434.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 434.243 Da
• Monoisotopic Mass: 434.243 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 917111-44-5, the molecular formula is C24H30N6O2, and the molecular weight is 434.53 g/mol. InChIKey MTJHLONVHHPNSI-IBGZPJMESA-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.