TH-302 - Moligand™, 10mM in DMSO , DNA inhibitor, CAS No.918633-87-1, DNA inhibitor

CAS: 918633-87-1 Cat. No.: T426926 Peso molecular: 449.04 PubChem CID: 11984561
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
HAP-302 | SB17116 | (1-METHYL-2-NITRO-1H-IMIDAZOLE-5-YL)METHYL N,N'-BIS(2-BROMOETHYL) DIAMIDOPHOSPHATE | EX-A1740 | UNII-8A9RZ3HN8W | HY-10535 | n,n'-bis(2-bromoethyl)phosphorodiamidic acid (1-methyl-2-nitro-1h-imidazol-5-yl)methyl ester | AC-29025 | TH30
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
T426926-1ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

205,90US$

241,90US$
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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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Evofosfamide (TH-302) is a hypoxia-activated prodrug with IC50 of 10 μM and 1000 μM in hypoxia (N2) and normoxia (21% O2), respectively.

Specifications

Sinónimos
HAP-302 | SB17116 | (1-METHYL-2-NITRO-1H-IMIDAZOLE-5-YL)METHYL N, N'-BIS(2-BROMOETHYL) DIAMIDOPHOSPHATE | EX-A1740 | UNII-8A9RZ3HN8W | HY-10535 | n, n'-bis(2-bromoethyl)phosphorodiamidic acid (1-methyl-2-nitro-1h-imidazol-5-yl)methyl ester | AC-29025 | TH30
Especificaciones y pureza
Moligand™, 10mM in DMSO
Mecanismos bioquímicos y fisiológicos

TH-302 is a newly developed antineoplastic drug which represents a potential new class of tumor selective hypoxia-activated prodrugs (HAPs).

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
DNA inhibitor
Propiedades del producto
ALogP0.6
Nombres e identificadores
Sonrisas canónicasCN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr
IUPAC Name2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine
InChIKeyUGJWRPJDTDGERK-UHFFFAOYSA-N
INCHI1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
Isómeros SMILES CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr
PubChem CID 11984561
Peso molecular 449.04

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
ClaseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles - Trisubstituted imidazoles
Direct Parent1,2,5-trisubstituted imidazoles
Alternative Parents Nitroaromatic compounds  Phosphoric monoester diamides  Phosphate esters  N-substituted imidazoles  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organic oxoazanium compounds  Organic salts  Organic zwitterions  Organic oxides  Organobromides  Organonitrogen compounds  Hydrocarbon derivatives  Organooxygen compounds  Organopnictogen compounds  Alkyl bromides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Phosphoric monoester diamide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Organic phosphoric acid amide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organopnictogen compound - Alkyl bromide - Alkyl halide - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ENO1 Tchem Alpha-enolase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ENO1 Tchem Alpha enolase (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW-620 (52400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H-EMC-SS (104 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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 molecular449.040 g/mol
XLogP30.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass448.929 Da
Monoisotopic Mass446.931 Da
Topological Polar Surface Area114.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity374.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Chengcai He, Ye Zhang, Xiaozhen Liu, Chengmu Yu, Jie Lv, Yulong Lin, Lianmei Zhao, Meng Li.  (2025)  Self-amplifying hypoxia cascade in covalent organic framework/metal organic framework nanoreactors for synergistic cancer therapy.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41353990] [10.1016/j.jcis.2025.139602]
Calculadoras de soluciones
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