17β-HSD5 inhibitor 2

CAT: 0013-GTR19263697-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19263697-01Size:10 mg

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Description

17β-HSD5 inhibitor 2 (Compound 30) is an inhibitor of 17β-hydroxysteroid dehydrogenase 5 (17β-HSD5), with an IC50 of 40 nM.

CAS Number

1106941-19-8

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Smiles

O=C (OCC) C1=CC=CC (=C1) N2C (=NC=3C=C (C=CC32) C (F) (F) F) C=4C=CN=CC4

Molecular Formula

C22H16F3N3O2

Molecular Weight

411.38

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

ethyl 3-[2-pyridin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]benzoate

CAS Number	1106941-19-8
PubChem CID	58516953
IUPAC Name	ethyl 3-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
Molecular Formula	C22H16F3N3O2
Molecular Weight	411.4
XLogP	4.8
Topological Polar Surface Area	57
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	597

SMILES

CCOC(=O)C1=CC(=CC=C1)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=NC=C4

InChI

InChI=1S/C22H16F3N3O2/c1-2-30-21(29)15-4-3-5-17(12-15)28-19-7-6-16(22(23,24)25)13-18(19)27-20(28)14-8-10-26-11-9-14/h3-13H,2H2,1H3

InChIKey

HXKXNLITHYLEMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1106941-19-8

CID: 58516953

Formula: C22H16F3N3O2

MW: 411.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	411.4
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	411.11946125
Monoisotopic Mass	411.11946125
Topological Polar Surface Area	57 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	597
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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GTR19188041-01	Tubulin inhibitor 17
GTR19185588-01	KRAS inhibitor-17

Alternative Products

Catalog	Name
HY-164138	17β-HSD5 inhibitor 3
T211300-01	17β-HSD5 inhibitor 2
T206838-01	17β-HSD5 inhibitor 1
HY-145909	BRD4 Inhibitor-17
T203305-01	WRN inhibitor 17
HY-159121	SEH inhibitor-17
T9706-01	BTK inhibitor 17
MBS5803164	Tubulin Inhibitor 17
HY-169669	FGFR1 inhibitor-17
T72681-01	ATX inhibitor 17

17β-HSD5 inhibitor 2

Chemical Information

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