JO146

CAT: 0931-T73532-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T73532-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

130727-21-8

Target

Serine Protease, Others

Related Pathways

Others, Proteases/Proteasome

Bioactivity

JO146 is a protease inhibitor for Chlamydia trachomatis high temperature requirement A (CtHtrA) and human neutrophil elastase (HNE), with IC50 values of 21.86 μM for CtHtrA and 1.15 μM for HNE, respectively. It is effective in inhibiting bacterial infections.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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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View on PubChem Raw 3D data

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
GTR19212025-01	JO146

JO146

Chemical Information

Alternative Products

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