S100A2-p53-IN-1

CAT: 0931-T63373-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63373-01Size:25 mg

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CAS Number

2766609-08-7

Target

Others, MDM-2/p53

Related Pathways

Apoptosis, Others

Bioactivity

S100A2-p53-IN-1 (compound 51), an inhibitor of S100A2-p53 interactions, targets S100A2, a Ca 2+ binding protein involved in cell signaling and commonly upregulated in pancreatic cancer, and effectively inhibits the growth of the MiaPaCa-2 pancreatic cancer cell line, showing a growth inhibition (GI 50) range of 1.2-3.4 μM [1].

Smiles

C(NCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2OC=3C(OC2)=CC=CC3

Molecular Formula

C20H20F6N2O4S

Molecular Weight

498.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

S100A2-p53-IN-1

CAS Number	2766609-08-7
PubChem CID	163322329
IUPAC Name	N-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Molecular Formula	C20H20F6N2O4S
Molecular Weight	498.4
XLogP	4.1
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	706

SMILES

C1C(OC2=CC=CC=C2O1)CNCCCNS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H20F6N2O4S/c21-19(22,23)13-8-14(20(24,25)26)10-16(9-13)33(29,30)28-7-3-6-27-11-15-12-31-17-4-1-2-5-18(17)32-15/h1-2,4-5,8-10,15,27-28H,3,6-7,11-12H2

InChIKey

JYSRREBPWYOTKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2766609-08-7

CID: 163322329

Formula: C20H20F6N2O4S

MW: 498.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.4
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	498.10479727
Monoisotopic Mass	498.10479727
Topological Polar Surface Area	85 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	706
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T72026-01	P53-MDM2-IN-1
T72877-01	P53-HDM2-IN-1
TMPY-00998-01	S100A2 Protein, Human, Recombinant
T206433-01	P53/TLR2 modulator-1
T64079-01	Mutant p53 modulator-1
TMAB-12449-01	Anti-S100A2 Antibody (2C990)
TMAB-12448-01	Anti-S100A2 Antibody (2Y573)
TMAY-00413	Anti-S100A2 Antibody (9P390)
TMPY-00910-01	S100A2 Protein, Human, Recombinant (hFc)
T80233-01	P53 CBS

Alternative Products

Catalog	Name
HY-145900	S100A2-p53-IN-1
CSB-CL020630HU	S100A2
NBP2-79899CL1	Mouse Monoclonal S100A2 Antibody (CPTC-S100A2-2) [CoraFluor 1]
575497-01	S100A2 (FITC)
MBS8517434-01	S100A2 Antibody
GTR18083917	Anti-S100A2
P16198	POTB7-S100A2
575498-01	S100A2 (HRP)
OPPA00085-5UG	S100A2 Protein

S100A2-p53-IN-1

Chemical Information

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