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ETP 45658 - ≥98%(HPLC), high purity , CAS No.1198357-79-7

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ETP 45658 - ≥98%(HPLC), high purity , CAS No.1198357-79-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1198357-79-7
Molecular Weight: 311.34
PubChem CID: 25229608

In stock

Item Number

E288420

Grouped product items
SKU	Size	Availability	Price
E288420-5mg	5mg	3	$167.90
E288420-10mg	10mg	3	$276.90
E288420-25mg	25mg	3	$623.90
E288420-50mg	50mg	2	$840.90
E288420-100mg	100mg	2	$1,266.90
E288420-250mg	250mg	2	$2,850.90

Potent PI 3-kinase inhibitor; also inhibits DNA-PK and mTOR

View related series

Cell Cycle/DNA Damage (2602) DNA Damage (697) DNA-PK (29) mTOR (145) PI3K (243) PI3K/Akt/mTOR (765)

Basic Description

Synonyms	3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol \| 3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenol
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	PI 3-kinase inhibitors (PI3-Kα, PI3-Kδ, PI3-Kβ and PI3-Kγ have IC50 values of 22, 30, 129 and 710 nM, respectively). It also inhibits DNA-PK and mTOR (IC50 values are 70.6 and 152 nM, respectively). Inhibit the proliferation of a variety of cancer cel
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 Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[3,4-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[3,4-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[3,4-d]pyrimidines
Alternative Parents	Dialkylarylamines Aminopyrimidines and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Morpholines Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[3,4-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Ether - Dialkyl ether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

IUPAC Name	3-(1-methyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)phenol
INCHI	InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChIKey	BJVRNXSHJLDZJR-UHFFFAOYSA-N
Smiles	CN1C2=C(C=N1)C(=NC(=N2)C3=CC(=CC=C3)O)N4CCOCC4
Isomeric SMILES	CN1C2=C(C=N1)C(=NC(=N2)C3=CC(=CC=C3)O)N4CCOCC4
Molecular Weight	311.34
Reaxy-Rn	24179013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24179013&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.

6 results found

Lot Number	Certificate Type	Date	Item
B2217296	Certificate of Analysis	Dec 04, 2024	E288420
B2217305	Certificate of Analysis	Dec 04, 2024	E288420
B2217277	Certificate of Analysis	Dec 04, 2024	E288420
B2217284	Certificate of Analysis	Dec 04, 2024	E288420
B2217311	Certificate of Analysis	Dec 04, 2024	E288420
B2217286	Certificate of Analysis	Dec 04, 2024	E288420

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 31.13, Max Conc. mM: 100
Molecular Weight	311.340 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	311.138 Da
Monoisotopic Mass	311.138 Da
Topological Polar Surface Area	76.300 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	406.000
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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