MM41

CAT: 0931-T60028-06Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T60028-06Size:50 mg

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

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CAS Number

1429028-96-5

Target

DNA/RNA Synthesis

Related Pathways

DNA Damage/DNA Repair, Cell Cycle/Checkpoint

Purity

0.9925

Bioactivity

MM41 is a human telomeric and gene promoter DNA quadruplex stabilizer with an IC50 of <10 nM against the MIA PaCa-2 pancreatic cancer cell line.

Smiles

CN1CCN(CCCNc2cc3c4c(c(NCCCN5CCN(C)CC5)cc5c4c2c(=O)n(CCCN2CCOCC2)c5=O)c(=O)n(CCCN2CCOCC2)c3=O)CC1

Molecular Formula

C44H66N10O6

Molecular Weight

831.06

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4,9-Bis{[3-(4-Methylpiperazin-1-Yl)propyl]amino}-2,7-Bis[3-(Morpholin-4-Yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-Tetrone

CAS Number	1429028-96-5
PubChem CID	135566608
IUPAC Name	14-hydroxy-3-[3-(4-methylpiperazin-1-yl)propylamino]-10-[3-(4-methylpiperazin-1-yl)propylimino]-6,13-bis(3-morpholin-4-ylpropyl)-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	C44H66N10O6
Molecular Weight	831.1
XLogP	-0.4
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	17
Heavy Atom Count	60
Formal Charge	0
Complexity	1810

SMILES

CN1CCN(CC1)CCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCN6CCN(CC6)C)CCCN7CCOCC7)CCCN8CCOCC8)O

InChI

InChI=1S/C44H66N10O6/c1-47-15-19-49(20-16-47)9-3-7-45-35-31-33-38-37-34(42(56)53(43(57)39(35)37)13-5-11-51-23-27-59-28-24-51)32-36(46-8-4-10-50-21-17-48(2)18-22-50)40(38)44(58)54(41(33)55)14-6-12-52-25-29-60-30-26-52/h31-32,45,55H,3-30H2,1-2H3

InChIKey

KOQWCTULEQQTBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1429028-96-5

CID: 135566608

Formula: C44H66N10O6

MW: 831.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	831.1
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	17
Exact Mass	830.51667986
Monoisotopic Mass	830.51667986
Topological Polar Surface Area	140 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1810
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

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Catalog	Name
MBS5785994	MM41

MM41

Chemical Information

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