CB-5083 - ≥98% , CAS No.1542705-92-9

CAS: 1542705-92-9 Cat. No.: C413907 Molecular Weight: 413.47
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
1H-Indole-4-carboxamide, 1-(7,8-dihydro-4-((phenylmethyl)amino)-5H-pyrano(4,3-d)pyrimidin-2-yl)-2-methyl- | AS-55872 | BC177445 | NCGC00481317-01 | NCGC00481317-03 | 1542705-92-9 | AC-29018 | CB 5083 | HMS3873E13 | JDP | 1-[4-(benzylamino)-7,8-dihydro-5H-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
C413907-5mg
3

$51.90

$77.90
Save $26.00 (33.38%)
10mg
C413907-10mg
3

$84.90

$127.90
Save $43.00 (33.62%)
25mg
C413907-25mg
3

$167.90

$251.90
Save $84.00 (33.35%)
50mg
C413907-50mg
2

$285.90

$428.90
Save $143.00 (33.34%)
100mg
C413907-100mg
2

$428.90

$643.90
Save $215.00 (33.39%)
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Why this grade

≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

In vitro

In A549 cells, CB-5083 causes significant K48 poly-ubiquitinated protein and CHOP accumulation as well as p62 reduction, and kills tumor cells with IC50 of 680 nM.

Specifications

Synonyms
1H-Indole-4-carboxamide, 1-(7, 8-dihydro-4-((phenylmethyl)amino)-5H-pyrano(4, 3-d)pyrimidin-2-yl)-2-methyl- | AS-55872 | BC177445 | NCGC00481317-01 | NCGC00481317-03 | 1542705-92-9 | AC-29018 | CB 5083 | HMS3873E13 | JDP | 1-[4-(benzylamino)-7, 8-dihydro-5H-
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
CB-5083 is a potent, selective, and orally bioavailable p97 AAA ATPase inhibitor with IC50 of 11 nM. Phase 1.
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.
Action Type
INHIBITOR
Purity
≥98%
Product Properties
ALogP3.748
hba_count4
HBD Count2
Rotatable Bond5
Names and Identifiers
Pubchem Sid504772314
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772314
Canonical SmilesCC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
IUPAC Name1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
InChIKeyRDALZZCKQFLGJP-UHFFFAOYSA-N
INCHI1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
Isomeric SMILES CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
Molecular Weight 413.47
Reaxy-Rn 26539278
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26539278&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
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxamides and derivatives
Alternative Parents Pyranopyridines  Pyranopyrimidines  Indoles  Benzylamines  Aminopyrimidines and derivatives  Substituted pyrroles  Imidolactams  Pyridines and derivatives  Heteroaromatic compounds  Primary carboxylic acid amides  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organic oxides  Amines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxamide derivative - Pyranopyridine - Pyranopyrimidine - Indole - Benzylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Pyrrole - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VCP Tchem Transitional endoplasmic reticulum ATPase (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PRKDC Tchem DNA-dependent protein kinase (1929 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VCP Tchem Transitional endoplasmic reticulum ATPase (895 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
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
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:

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

5 results found

Lot NumberCertificate TypeDateItem
K2219231Certificate of AnalysisSep 04, 2025 C413907
K2219237Certificate of AnalysisSep 04, 2025 C413907
K2219239Certificate of AnalysisSep 04, 2025 C413907
K2219251Certificate of AnalysisSep 04, 2025 C413907
K2219252Certificate of AnalysisSep 04, 2025 C413907
Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 82 mg/mL (198.32 mM); Ethanol: 29 mg/mL warmed with 50ºC Water: bath (70.13 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility82
DMSO(mM) Max Solubility198.3215227
Water(mg / mL) Max Solubility<1
Molecular Weight413.500 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass413.185 Da
Monoisotopic Mass413.185 Da
Topological Polar Surface Area95.100 Ų
Heavy Atom Count31
Formal Charge0
Complexity627.000
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
References
1. Jiajian Wang, Yongnan Su, Lanqing Zhang, Hanchuan Mou, Wei Wu, Yunxin Xia, Fei Yu, Fan Yang, Jihong Zhang.  (2026)  Buxus alkaloid KBA01 targets Valosin-containing protein to inhibit colorectal cancer progression via the p53-Wnt/β-catenin axis.  PHYTOMEDICINE,      [PMID:] [10.1016/j.phymed.2026.158314]
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