MC 1742 - ≥98%(HPLC) , CAS No.1776116-74-5

CAS: 1776116-74-5 Cat. No.: M288108 Peso molecular: 395.47
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
Synonyms
MC 1742, 5-(4-(Biphenyl-4-yl)-6-oxo-1,6-dihydropyrimidin-2-ylthio)-N-hydroxypentanamide | MC-1742, 5-[(4-[1,1′-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide | MC1742
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
M288108-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
158,90US$
10mg
M288108-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
263,90US$
25mg
M288108-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
527,90US$
50mg
M288108-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
843,90US$
100mg
M288108-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.385,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Descripción general

Product introduction:

An inhibitor of class I and class IIb HDACs.

Specifications

Sinónimos
MC 1742, 5-(4-(Biphenyl-4-yl)-6-oxo-1, 6-dihydropyrimidin-2-ylthio)-N-hydroxypentanamide | MC-1742, 5-[(4-[1, 1′-Biphenyl]-4-yl-1, 6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide | MC1742
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent class I and IIb HDAC inhibitor (IC50values are 7, 20, 40, 100, 110 and 610 nM for HDAC6, HDAC3, HDAC10, HDAC1, HDAC2 and HDAC8, respectively). Suppresses proliferation and induces apoptosis of sarcoma cancer stem cells (CSCs) at concentrations >500
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥98%(HPLC)
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NO
IUPAC NameN-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamide
InChIKeyAOFVDNFTELWRHV-UHFFFAOYSA-N
INCHI1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
Isómeros SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NO
Peso molecular 395.47
Reaxy-Rn 28231281
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28231281&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
ClaseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrimidines
Alternative Parents Biphenyls and derivatives  Pyrimidones  Alkylarylthioethers  Hydropyrimidines  Vinylogous amides  Heteroaromatic compounds  Hydroxamic acids  Sulfenyl compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Biphenyl - 4-phenylpyrimidine - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Hydroxamic acid - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HDAC6 Tclin Histone deacetylase 6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC1 Tclin Histone deacetylase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC11 Tclin Histone deacetylase 11 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC2 Tclin Histone deacetylase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC10 Tclin Histone deacetylase 10 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC8 Tclin Histone deacetylase 8 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC3 Tclin Histone deacetylase 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC8 Tclin Histone deacetylase 8 (4516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC10 Tclin Histone deacetylase 10 (801 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC2 Tclin Histone deacetylase 2 (3971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC3 Tclin Histone deacetylase 3 (3654 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC4 Tclin Histone deacetylase 4 (2328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC9 Tclin Histone deacetylase 9 (708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC11 Tclin Histone deacetylase 11 (967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC7 Tclin Histone deacetylase 7 (1047 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A204 (242 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A673 (619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MG-63 (795 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RD (1212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HFF (3142 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOS (906 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac1 Histone deacetylase 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac5 Histone deacetylase 5 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus 1 (70413 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
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 39.55, Max Conc. mM: 100
Peso molecular395.500 g/mol
XLogP33.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass395.13 Da
Monoisotopic Mass395.13 Da
Topological Polar Surface Area116.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity606.000
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
Calculadoras de soluciones
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