JO146

CAT: 0013-GTR19212025-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19212025-03Size:100 mg

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Description

JO146 is a dual protease inhibitor targeting Chlamydia trachomatis HtrA (CtHtrA; IC50 = 21.86 μM) and human neutrophil elastase (HNE; IC50 = 1.15 μM) . This small molecule is a research tool for studying bacterial pathogenesis and host inflammatory responses in vitro, with potential applications in infectious disease and protease research.

CAS Number

130727-21-8

Field of Research

Protein Biochemistry

Smiles

P (C (NC (=O) [C@H]1N (C ([C@@H] (NC (OC (C) (C) C) =O) [C@H] (C) C) =O) CCC1) C (C) C) (OC2=CC=CC=C2) (OC3=CC=CC=C3) =O

Molecular Formula

C31H44N3O7P

Molecular Weight

601.67

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 15928334

CAS Number	130727-21-8
PubChem CID	15928334
IUPAC Name	tert-butyl N-[(2S)-1-[(2S)-2-[(1-diphenoxyphosphoryl-2-methylpropyl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Formula	C31H44N3O7P
Molecular Weight	601.7
XLogP	6.1
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	42
Formal Charge	0
Complexity	931

SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H44N3O7P/c1-21(2)26(32-30(37)39-31(5,6)7)29(36)34-20-14-19-25(34)27(35)33-28(22(3)4)42(38,40-23-15-10-8-11-16-23)41-24-17-12-9-13-18-24/h8-13,15-18,21-22,25-26,28H,14,19-20H2,1-7H3,(H,32,37)(H,33,35)/t25-,26-,28?/m0/s1

InChIKey

FOEQHKOSOICMEF-QIELNMHASA-N

Chemical Structure

2D Structure

CAS: 130727-21-8

CID: 15928334

Formula: C31H44N3O7P

MW: 601.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	601.7
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	601.29168775
Monoisotopic Mass	601.29168775
Topological Polar Surface Area	123 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	931
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA8339-10	JO146

JO146

Chemical Information

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