SOP1812

CAT: 0957-E1982-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E1982-02Size:25 mg

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Description

SOP1812 (QN-302), is a tetra-substituted naphthalene diimide (ND) derivative and selective inhibitor of G-quadruplex (G4) transcription. It shows great affinity to hTERT G4 and HuTel21 G4 with KD values of 4.9 and 28.4 nM, respectively. It binds to G-quadruplex DNA in cancer gene promoters region and shows strong anti-proliferative and anti-tumor activity in pancreatic cancer models.

CAS Number

2546091-70-5

Synonyms

QN-302

Target

Others

Activity

Others

Molecular Formula

C45H57N7O6

Chemical Information

2,7-Bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl)amino)-9-(4-(pyrrolidin-1-ylmethyl)phenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

G-Quadruplex-selective Transcription Inhibitor QN-302 is a naphthalene diimide (ND) derivative and selective G-quadruplex (G4) transcription inhibitor, with potential antineoplastic activity. Upon administration, QN-302 targets and binds to highly stable G-quadruplex DNA sequences that are prevalent within the promoter regions of cancer-related genes, thereby further stabilizing these complexes. This stabilization prevents unwinding and inhibits transcription factor binding, which leads to an inhibition of target gene transcription and expression and decreases G4-expressing cancer cell proliferation. Specifically, QN-302 downregulates the expression of the S100P gene in tumor cells. S100P, forming many quadruplex-forming sequences, plays a key role in the proliferation and motility pathways in several cancers and is upregulated in various tumor cell types. G4 sequences are over-represented in the promoter regions of many oncogenes.

CAS Number	2546091-70-5
PubChem CID	155318440
IUPAC Name	14-hydroxy-6,13-bis(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethylimino)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione
Molecular Formula	C45H57N7O6
Molecular Weight	792.0
XLogP	1
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	14
Heavy Atom Count	58
Formal Charge	0
Complexity	1800

SMILES

C1CCN(C1)CCN=C2C=C3C4=C(C(=CC5=C(N(C(=O)C2=C54)CCCN6CCOCC6)O)C7=CC=C(C=C7)CN8CCCC8)C(=O)N(C3=O)CCCN9CCOCC9

InChI

InChI=1S/C45H57N7O6/c53-42-35-29-34(33-9-7-32(8-10-33)31-50-14-3-4-15-50)40-38-36(43(54)51(44(40)55)18-5-16-48-21-25-57-26-22-48)30-37(46-11-20-47-12-1-2-13-47)41(39(35)38)45(56)52(42)19-6-17-49-23-27-58-28-24-49/h7-10,29-30,53H,1-6,11-28,31H2

InChIKey

TZQVPFRBHPQZNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2546091-70-5

CID: 155318440

Formula: C45H57N7O6

MW: 792.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	792.0
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	14
Exact Mass	791.43703256
Monoisotopic Mass	791.43703256
Topological Polar Surface Area	122 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-148012-01	SOP1812

SOP1812

Chemical Information

Alternative Products

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