Pyr3

CAT: 0931-T16687-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T16687-03Size:5 mg

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CAS Number

1160514-60-2

Target

TRP/TRPV Channel

Related Pathways

Membrane transporter/Ion channel

Purity

0.9947

Bioactivity

Pyr3 is a selective transient receptor potential canonical channel 3 inhibitor. Pyr3 inhibits TRPC3-mediated Ca2+ influx in a dose-dependent manner (IC50 = 700 nM) .

Smiles

CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1

Molecular Formula

C16H11Cl3F3N3O3

Molecular Weight

456.63

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pyr3

CAS Number	1160514-60-2
PubChem CID	56964346
IUPAC Name	ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Molecular Formula	C16H11Cl3F3N3O3
Molecular Weight	456.6
XLogP	4.8
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	621

SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C(=C(Cl)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)

InChIKey

RZHGONNSASQOAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1160514-60-2

CID: 56964346

Formula: C16H11Cl3F3N3O3

MW: 456.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.6
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	454.981809
Monoisotopic Mass	454.981809
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T21348	PYR-0503
T21349	PYR-8750
T6629-01	PYR-41
T81341-01	Pyr-Gly
T21347	PYR-9588
TYD-00255-01	Boc-Pyr-OH

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Catalog	Name
3751/50	Pyr3

Pyr3

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