1E7-03

CAT: 0013-GTR19210435-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210435-02Size:50 mg

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Description

1E7-03 is a small molecule inhibitor that suppresses HIV-1 replication by targeting the host protein phosphatase PP1. It is a research tool for studying HIV-1 transcription mechanisms and host-pathogen interactions in both in vitro and cell-based assays.

CAS Number

1565845-92-2

Field of Research

Infectious Disease & Virology, Metabolism Research, Protein Biochemistry

Smiles

C (=C1C=2C (=C (C (OC (C (NC (NCC) =O) =O) C) =O) C=3C (N2) =CC=CC3) CC1) C4=CC (OC) =C (OC) C=C4

Molecular Formula

C28H29N3O6

Molecular Weight

503.55

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

CAS Number	1565845-92-2
PubChem CID	73296397
IUPAC Name	[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Molecular Formula	C28H29N3O6
Molecular Weight	503.5
XLogP	4.5
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	863

SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=C2CC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C28H29N3O6/c1-5-29-28(34)31-26(32)16(2)37-27(33)24-19-8-6-7-9-21(19)30-25-18(11-12-20(24)25)14-17-10-13-22(35-3)23(15-17)36-4/h6-10,13-16H,5,11-12H2,1-4H3,(H2,29,31,32,34)/b18-14+

InChIKey

PHJQCMBFMOQNFF-NBVRZTHBSA-N

Chemical Structure

2D Structure

CAS: 1565845-92-2

CID: 73296397

Formula: C28H29N3O6

MW: 503.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	503.5
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	503.20563565
Monoisotopic Mass	503.20563565
Topological Polar Surface Area	116 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	863
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-124644-01	1E7-03
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1E7-03

Chemical Information

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