Dxd - ≥98% , CAS No.1599440-33-1

CAS: 1599440-33-1 Cat. No.: D303024 Formule: C₂₆H₂₄FN₃O₆ Poids moléculaire: 493.48

QUALITÉ & PURETÉ ≥98%

Synonyms

A936339 | N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0,.0,.0,.0,tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide | AC-32494 | AT21797 | EX-A4319 | SCHEMBL16485136 | UNII-OQM5SD32BQ

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product description：

Dxd is a potent DNA topoisomerase I inhibitor, with an IC50 of 0.31 μM, used as a conjugated drug of HER2-targeting ADC (DS-8201a).

Spécifications

Synonymes

A936339 | N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0,.0,.0,.0,tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide | AC-32494 | AT21797 | EX-A4319 | SCHEMBL16485136 | UNII-OQM5SD32BQ

Spécifications et pureté

≥98%

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

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504772839

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772839

Sourires canoniques

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O

IUPAC Name

N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

InChIKey

PLXLYXLUCNZSAA-QLXKLKPCSA-N

INCHI

1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1

Isomères SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O

Poids moléculaire

493.48

Reaxy-Rn

57214821

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57214821&ln=

Propriétés chimiques et physiques

• Poids moléculaire: 493.500 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 493.165 Da
• Monoisotopic Mass: 493.165 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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