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IHR 1 - ≥99%(HPLC), high purity , CAS No.548779-60-8

COA

Grade & Purity:

≥99%(HPLC)

Cas Number: 548779-60-8
Molecular Weight: 454.13
PubChem CID: 2167042
PubChem SID: 488192078

In stock

Item Number

I286903

Grouped product items
SKU	Size	Availability	Price
I286903-10mg	10mg	2	$125.90
I286903-50mg	50mg	2	$475.90
I286903-100mg	100mg	2	$856.90
I286903-250mg	250mg	2	$1,927.90
I286903-1g	1g	2	$6,939.90

Potent Smo antagonist

View related series

Smo (39) Stem Cell/Wnt (1019)

Basic Description

Synonyms	N,N'-1,4-Phenylenebis[2,5-dichlorobenzamide] \| IHR-1
Specifications & Purity	≥99%(HPLC)
Biochemical and Physiological Mechanisms	Potent Smo antagonist (IC50= 7.6 nM). Selectively inhibits Hedgehog signaling over Wnt and Notch signaling pathways. Blocks Smo accumulation in primary ciliumin vitro.Fluorescent Analogalso available.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	488192078
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192078
IUPAC Name	2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]phenyl]benzamide
INCHI	InChI=1S/C20H12Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-10H,(H,25,27)(H,26,28)
InChIKey	VCLHHRGZKNUOAQ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl
Isomeric SMILES	C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl
Molecular Weight	454.13
Reaxy-Rn	28625532
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28625532&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
B2328691	Certificate of Analysis	Sep 01, 2022	I286903
B2328705	Certificate of Analysis	Sep 01, 2022	I286903
B2328768	Certificate of Analysis	Sep 01, 2022	I286903
B2328702	Certificate of Analysis	Sep 01, 2022	I286903
B2328703	Certificate of Analysis	Sep 01, 2022	I286903
B2328794	Certificate of Analysis	Sep 01, 2022	I286903
B2328704	Certificate of Analysis	Sep 01, 2022	I286903
B2328690	Certificate of Analysis	Sep 01, 2022	I286903
B2328688	Certificate of Analysis	Sep 01, 2022	I286903
B2328694	Certificate of Analysis	Sep 01, 2022	I286903

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 9.08, Max Conc. mM: 20 with gentle warming
Molecular Weight	454.100 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	453.962 Da
Monoisotopic Mass	451.965 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	508.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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