PT-1

CAT: 0127-BUP06794-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06794-04Size:25 mg

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CAS Number

331002-70-1

Synonyms

PT1

Purity

=98%

Smiles

O=C(O)C1=CC(=CC=C1Cl)NC2=NC(=O)C(S2)=CC=3OC(=CC3)C=4C=C(C(=CC4N(=O)=O)C)C

Chemical Information

2-Chloro-5-((5-((5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-4-oxo-2-thiazolyl)amino)benzoic acid

an AMP-activated kinase agonist; structure in first source

CAS Number	331002-70-1
PubChem CID	135547730
IUPAC Name	2-chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Molecular Formula	C23H16ClN3O6S
Molecular Weight	497.9
XLogP	5.5
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	892

SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=NC4=CC(=C(C=C4)Cl)C(=O)O)S3

InChI

InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)

InChIKey

RTHRCOIONCZINZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 331002-70-1

CID: 135547730

Formula: C23H16ClN3O6S

MW: 497.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	497.9
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	497.0448341
Monoisotopic Mass	497.0448341
Topological Polar Surface Area	163 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	892
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR312388	1-Phenylbicyclo[1.1.1]pentane

Alternative Products

Catalog	Name
B7572-10	PT 1
T21984-01	PT-1
COAGPT16L-64A	PT (ISI ~1.5)
COAGPT1L-68D	PT (ISI ~1.00)
BA3302-10	PT-262
BA7793-25	PT-2385
CEB72137-01	Pt-TTPY
Fr21317-01	5-PT
T88090-01	PT-88
T86921-01	Mono-Pt

PT-1

Chemical Information

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