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CB-5083 - 98%, high purity , CAS No.1542705-92-9

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
C413907
Grouped product items
SKU Size
Availability
 Price Qty
C413907-5mg
5mg
3
$107.90
C413907-10mg
10mg
3
$167.90
C413907-25mg
25mg
3
$375.90
C413907-50mg
50mg
2
$602.90
C413907-100mg
100mg
2
$969.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

p97 Inhibitors

View related series
Cell Cycle/DNA Damage (2602) DNA Damage (697) p97 (13)

Basic Description

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 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.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Indolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Indolecarboxamides 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 Framework Aromatic 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
Description This 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

Product Properties

ALogP 3.748
hba_count 4
HBD Count 2
Rotatable Bond 5

Associated Targets(Human)

VCP Tchem Transitional endoplasmic reticulum ATPase (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKDC Tchem DNA-dependent protein kinase (1929 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RPMI-8226 (44974 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
VCP Tchem Transitional endoplasmic reticulum ATPase (895 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504772314
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772314
IUPAC Name 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
INCHI InChI=1S/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)
InChIKey RDALZZCKQFLGJP-UHFFFAOYSA-N
Smiles CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
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=

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 Number Certificate Type Date Item
K2219231 Certificate of Analysis Sep 06, 2022 C413907
K2219237 Certificate of Analysis Sep 06, 2022 C413907
K2219251 Certificate of Analysis Sep 06, 2022 C413907
K2219252 Certificate of Analysis Sep 06, 2022 C413907
K2219239 Certificate of Analysis Sep 06, 2022 C413907

Chemical and Physical Properties

Solubility Solubility (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 Solubility 82
DMSO(mM) Max Solubility 198.3215227
Water(mg / mL) Max Solubility ＜1
Molecular Weight 413.500 g/mol
XLogP3 3.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 413.185 Da
Monoisotopic Mass 413.185 Da
Topological Polar Surface Area 95.100 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 627.000
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

Alternative Products

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    CB-5083
    • 10mM in DMSO

    Starting at $191.90

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