Vorasidenib (AG-881) - Moligand™, 10mM in DMSO , IDH1/IDH2 inhibitor, CAS No.1644545-52-7, IDH1/IDH2 inhibitor

CAS: 1644545-52-7 Cat. No.: V422038 Peso molecular: 414.74 PubChem CID: 117817422
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine | AG 881 [WHO-DD] | C73178 | Vorasidenib [INN] | 6-(6-chloropyridin-2-yl)-N~2~,N~4~-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine | BDBM2799
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
V422038-1ml
1
99,90US$
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
6-(6-chloropyridin-2-yl)-2-N, 4-N-bis[(2R)-1, 1, 1-trifluoropropan-2-yl]-1, 3, 5-triazine-2, 4-diamine | AG 881 [WHO-DD] | C73178 | Vorasidenib [INN] | 6-(6-chloropyridin-2-yl)-N~2~, N~4~-bis[(2R)-1, 1, 1-trifluoropropan-2-yl]-1, 3, 5-triazine-2, 4-diamine | BDBM2799
Especificaciones y pureza
Moligand™, 10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
IDH1/IDH2 inhibitor
Propiedades del producto
ALogP5.3
Nombres e identificadores
Sonrisas canónicasCC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F
IUPAC Name6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
InChIKeyQCZAWDGAVJMPTA-RNFRBKRXSA-N
INCHI1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
Isómeros SMILES C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F
PubChem CID 117817422
Peso molecular 414.74

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseTriazines
SubclassAminotriazines
Intermediate Tree Nodes Not available
Direct Parent1,3,5-triazine-2,4-diamines
Alternative Parents Secondary alkylarylamines  N-aliphatic s-triazines  2-halopyridines  Aryl chlorides  1,3,5-triazines  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organochlorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,4-diamine-s-triazine - 2-halopyridine - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - 1,3,5-triazine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
IDH2 Tclin Isocitrate dehydrogenase [NADP], mitochondrial (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular414.740 g/mol
XLogP35.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass414.079 Da
Monoisotopic Mass414.079 Da
Topological Polar Surface Area75.600 Ų
Heavy Atom Count27
Formal Charge0
Complexity448.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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