PNU-142721

CAT: 0931-T28432-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T28432-01Size:100 mg

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

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CAS Number

185220-03-5

Target

Reverse Transcriptase, HIV Protease, Others

Related Pathways

Microbiology/Virology, Proteases/Proteasome, Others

Bioactivity

PNU-142721, reverse transcriptase inhibitor, is used to treat human immunodeficiency virus (HIV) infection.

Smiles

[C@H](SC=1N=C(Cl)C=C(N)N1)(C)C=2C=C3C(=CN2)OC=C3

Molecular Formula

C13H11ClN4OS

Molecular Weight

306.77

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pnu-142721

structure in first source

CAS Number	185220-03-5
PubChem CID	446309
IUPAC Name	6-chloro-2-[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanylpyrimidin-4-amine
Molecular Formula	C13H11ClN4OS
Molecular Weight	306.77
XLogP	2.9
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	337

SMILES

C[C@@H](C1=NC=C2C(=C1)C=CO2)SC3=NC(=CC(=N3)Cl)N

InChI

InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1

InChIKey

ATCRIOJPQXDFNY-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 185220-03-5

CID: 446309

Formula: C13H11ClN4OS

MW: 306.77

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	306.77
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	306.0342099
Monoisotopic Mass	306.0342099
Topological Polar Surface Area	103 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Alternative Products

Catalog	Name
MBS5778114	PNU-142721
HY-15380	PNU‐142721
526804	PNU-120596
HY-W019700-01	PNU-100440
FP27102-01	PNU 142300
DSA86191-01	PNU-176798
HY-12560A-01	PNU-282987
HY-19300A-01	PNU-142731A
HY-105372	PNU-103657
256292	PNU 142633

PNU-142721

Chemical Information

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