HhAntag - ≥98% , CAS No.496794-70-8

CAS: 496794-70-8 Cat. No.: H126037 Molecular Weight: 450.92
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
N-(4-chloro-3-(5-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide | SCHEMBL2157955 | Hh-Antag; Hh Antag;GLI1-mediated transcription inhibitor | N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3,5-dimethoxybenzamide | F
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
H126037-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$43.90
10mg
H126037-10mg
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$57.90
25mg
H126037-25mg
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$76.90
50mg
H126037-50mg
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$152.90
100mg
H126037-100mg
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$264.90
250mg
H126037-250mg
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$450.90
1g
H126037-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,160.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

HhAntag is a small molecule inhibitor of GLI1-mediated transcription, an essential down-stream element of the Hedgehog (Hh) pathway; antitumor agent.

Specifications

Synonyms
N-(4-chloro-3-(5-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3, 5-dimethoxybenzamide | SCHEMBL2157955 | Hh-Antag; Hh Antag;GLI1-mediated transcription inhibitor | N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3, 5-dimethoxybenzamide | F
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms

A small molecule inhibitor of GLI1-mediated transcription, an essential down-stream element of the Hedgehog (Hh) pathway. Antitumor agent.

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCN(C)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)Cl
IUPAC NameN-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3,5-dimethoxybenzamide
InChIKeyUBHJFPVTEATUFS-UHFFFAOYSA-N
INCHI1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28)
Isomeric SMILES CN(C)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)Cl
Molecular Weight 450.92
Reaxy-Rn 22058964
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22058964&ln=

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
ClassBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
Alternative Parents Benzanilides  Phenylimidazoles  Dimethoxybenzenes  Benzamides  Phenoxy compounds  Anisoles  Dialkylarylamines  Benzoyl derivatives  Alkyl aryl ethers  Chlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzimidazole - Benzanilide - Aromatic anilide - 2-phenylimidazole - Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Methoxybenzene - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GLI1 Tchem Zinc finger protein GLI1 (201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
C3H 10T1/2 (488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Shh Sonic hedgehog protein (356 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Solubilityinsoluble in H2O; ≥13.3 mg/mL in DMSO; ≥52.3 mg/mL in EtOH with gentle warming
Molecular Weight450.900 g/mol
XLogP34.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass450.146 Da
Monoisotopic Mass450.146 Da
Topological Polar Surface Area79.500 Ų
Heavy Atom Count32
Formal Charge0
Complexity626.000
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
Solution Calculators
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