4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol

HCID 176407CAS 139180-30-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
InChIKey
PWTBZOIUWZOPFT-UHFFFAOYSA-N
Molecular formula
C16H15N7O2
Average molar mass
337.34 g/mol
Monoisotopic mass
337.12872272

Overview

4-[2-[[7-amino-2-(2-furanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol is a diamino-1,3,5-triazine.

Names & identifiers

Preferred name
4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol
IUPAC
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
English name
ZM 241385
Molecular formula
C16H15N7O2
Molecular weight
337.34

Names & synonyms

RefChem:5113454-(2-(7-amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol139180-30-6ZM241385ZM 241385ZM-2413854-(2-((7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino)ethyl)phenol5NIC36BO71CHEMBL1131424-(2-[7-Amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl)phenolZM-241,3854-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
Show more names
CS-2353ZM241385, 10 mM in DMSOZM 241385, A2A antagonistAdenosine A2A Receptor Antagonist I, ZM 2413854-(2-[7-AMINO-2-(2-FURYL)[1,2,4]TRIAZOLO[2,3-A][1,3,5]TRIAZIN-5-YLAMINO]ETHYL)PHENO
Phenol, 4-[2-[[7-amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-MFCD00908394C16H15N7O24-(2-(7-Amino-2-(2-furyl)(1,2,4)triazolo(2,3-a)(1,3,5)triazin-5-ylamino)ethyl)phenol4-(2-(7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)ethyl)phenol4-[2-[[7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol4-{2-[(7-Amino-2-Furan-2-Yl[1,2,4]triazolo[1,5-A][1,3,5]triazin-5-Yl)amino]ethyl}phenolPhenol, 4-(2-((7-amino-2-(2-furanyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazin-5-yl)amino)ethyl)-

Database identifiers

CAS
139180-30-6
PubChem CID
176407
DTXSID
DTXSID80160954
ChEMBL
CHEMBL113142
ChEBI
CHEBI:92361
UNII
5NIC36BO71
EC Number
689-671-4
Nikkaji
J679.659A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
127 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
25

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Density
1.59 · 1.59±0.1 g/cm3(Predicted)
storage temp.
room temp
solubility
15 mg/mL · DMSO: >15mg/mL
pka
10.03 · 10.03±0.15(Predicted)
form
powder
color
white to tan

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk
3
ridadr
UN 2811 6.1 / PGIII
risk_code
25
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T

Chemistry & industry

Applications

UsesZM 241385 is a selective and potent Adenosine A2A-R antagonist.

Upstream & downstream products

Suppliers50 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Additional notes

DefinitionChEBI: 4-[2-[[7-amino-2-(2-furanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol is a diamino-1,3,5-triazine.

Related reactions

5 records
New reaction record

Linked notes

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