PTP1B-IN-20

CAT: 0013-GTR19212413-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19212413-01Size:25 mg

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Description

PTP1B-IN-20 is a selective small molecule inhibitor of PTP1B (IC50 = 1.05 μM) with significant selectivity over TCPTP (IC50 = 78.0 μM) . It is a valuable research tool for studying type 2 diabetes and metabolic disorders in both cellular and animal models, targeting this key therapeutic enzyme.

CAS Number

3001295-81-1

Field of Research

Cell Biology, Metabolism Research

Smiles

O=C1C=2C (C (=O) C=3C1=C (O) C (O) =CC3) =C (O) C (C) =C (O[C@@H]4O[C@H] (CO[C@H]5[C@H] (O) [C@@H] (O) [C@H] (O) CO5) [C@@H] (O) [C@H] (O) [C@H]4O) C2

Molecular Formula

C26H28O15

Molecular Weight

580.49

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ptp1B-IN-20

1,5,6-trihydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione has been reported in Neonauclea calycina with data available.

CAS Number	3001295-81-1
PubChem CID	162861203
IUPAC Name	1,5,6-trihydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Molecular Formula	C26H28O15
Molecular Weight	580.5
XLogP	-1
Topological Polar Surface Area	253
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Heavy Atom Count	41
Formal Charge	0
Complexity	965

SMILES

CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O

InChI

InChI=1S/C26H28O15/c1-7-12(4-9-15(16(7)29)17(30)8-2-3-10(27)19(32)14(8)18(9)31)40-26-24(37)22(35)21(34)13(41-26)6-39-25-23(36)20(33)11(28)5-38-25/h2-4,11,13,20-29,32-37H,5-6H2,1H3/t11-,13-,20+,21-,22+,23-,24-,25+,26-/m1/s1

InChIKey

FATNCJZCOOPLKZ-YJWXBJJPSA-N

Chemical Structure

2D Structure

CAS: 3001295-81-1

CID: 162861203

Formula: C26H28O15

MW: 580.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.5
XLogP3	-1
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Exact Mass	580.14282018
Monoisotopic Mass	580.14282018
Topological Polar Surface Area	253 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	965
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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Catalog	Name
HY-N10648	PTP1B-IN-20
MBS8534661-01	PTP1B
QY-E05410	Human PTP1B (PTP1B) ELISA Kit
BAL2229	Phospho-PTP1B (Ser352) Rabbit mAb, 1 pack = 20 µL
BAL2310	Phospho-PTP1B (Ser378) Rabbit mAb, 1 pack = 20 µL
513271	PTP1B (PTP 1B, PTP1B, PTPN1) discontinued
BA8143-25	PTP1B-IN-22
BA8105-5.1	PTP1B-IN-1
10R-8026	PTP1B antibody
CRB1000746-01	PTP1B Substrate

PTP1B-IN-20

Chemical Information

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