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PT2399 - 98%, high purity , CAS No.1672662-14-4

COA

Grade & Purity:

≥98%

Cas Number: 1672662-14-4
Molecular Weight: 419.32
PubChem CID: 91663289
PubChem SID: 488202511

In stock

Item Number

P413982

Grouped product items
SKU	Size	Availability	Price
P413982-1mg	1mg	6	$183.90
P413982-5mg	5mg	6	$764.90
P413982-10mg	10mg	6	$1,282.90
P413982-25mg	25mg	6	$2,886.90
P413982-50mg	50mg	5	$3,927.90

HIF Antagonists

View related series

Glucose Metabolism (1943) HIF/HIF Prolyl-Hydroxylase (128) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	Benzonitrile,3-[[(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-2,3-dihydro-1-hydroxy-1H-inden-4-yl]oxy]-5-fluoro-
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PT2399 is a potent and orally available antagonist of HIF-2 that selectively disrupts the heterodimerization of HIF-2α with HIF-1β.
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information PT2399 PT2399 is a potent and orally available antagonist of HIF-2 that selectively disrupts the heterodimerization of HIF-2α with HIF-1β . Targets HIF-2α ; HIF-1β In vivo PT2399 dissociates HIF-2 (an obligatory heterodimer [HIF-2α/HIF-1β])14 in human Clear cell Renal Cell Carcinoma (ccRCC) suppressing tumorigenesis in 56% (10/18) lines. PT2399 has greater activity than sunitinib, is active in sunitinib-progressing tumors, and is better tolerated. Illustrating drug specificity, gene expression is largely unaffected by PT2399 in resistant tumors. Sensitive tumors exhibits a distinguishing gene expression signature, and generally higher HIF-2α levels. Prolonged PT2399 treatment leads to resistance.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	Indanes Phenoxy compounds Phenol ethers Benzonitriles Fluorobenzenes Aryl fluorides Sulfones Secondary alcohols Fluorohydrins Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Diaryl ether - Indane - Phenoxy compound - Benzonitrile - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Fluorohydrin - Secondary alcohol - Halohydrin - Nitrile - Carbonitrile - Organonitrogen compound - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Alkyl halide - Organofluoride - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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

Product Properties

ALogP	3.554
HBD Count	1
Rotatable Bond	4

Associated Targets(Human)

EPAS1 Tclin Endothelial PAS domain-containing protein 1 (3 Activities)

Discover Target: EPAS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

786-0 (47912 Activities)

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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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	488202511
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202511
IUPAC Name	3-[[(1S)-7-(difluoromethylsulfonyl)-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
INCHI	InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1
InChIKey	MXUSGDMIHGLCNC-HNNXBMFYSA-N
Smiles	C1C2=C(C=CC(=C2C(C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F
Isomeric SMILES	C1C2=C(C=CC(=C2[C@@H](C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F
PubChem CID	91663289
Molecular Weight	419.32

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
D23181141	Certificate of Analysis	Mar 13, 2023	P413982
D23181146	Certificate of Analysis	Mar 13, 2023	P413982
D2318917	Certificate of Analysis	Mar 13, 2023	P413982
D2318911	Certificate of Analysis	Mar 13, 2023	P413982
D2318898	Certificate of Analysis	Mar 13, 2023	P413982
D2318895	Certificate of Analysis	Mar 13, 2023	P413982
D2318571	Certificate of Analysis	Mar 13, 2023	P413982
D2318903	Certificate of Analysis	Mar 13, 2023	P413982
D23181145	Certificate of Analysis	Mar 13, 2023	P413982
D23181144	Certificate of Analysis	Mar 13, 2023	P413982

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 84 mg/mL (200.32 mM); Ethanol: 84 mg/mL (200.32 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	84
DMSO(mM) Max Solubility	200.324334637031
Water(mg / mL) Max Solubility	＜1
Molecular Weight	419.300 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	419.025 Da
Monoisotopic Mass	419.025 Da
Topological Polar Surface Area	95.800 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	734.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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PT2399 - 98%, high purity , CAS No.1672662-14-4

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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