Elsamitrucin

CAT: 0013-GTR19211677-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19211677-02Size:50 mg

Selected

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

Quick Request Actions

Description

Elsamitrucin is a heterocyclic antineoplastic antibiotic that intercalates into G-C-rich DNA regions. It inhibits both topoisomerase I and II, leading to DNA single-strand breaks and replication arrest. This agent has been investigated in preclinical in vitro and in vivo studies for its antitumor potential.

CAS Number

97068-30-9

Field of Research

Infectious Disease & Virology

Smiles

OC=1C2=C3C=4C (C (=O) OC3=C5C1C=CC=C5O[C@H]6[C@H] (O[C@@H]7[C@H] (N) [C@@H] (OC) [C@@H] (O) [C@@H] (C) O7) [C@@] (C) (O) [C@@H] (O) [C@@H] (C) O6) =C (C) C=CC4OC2=O

Molecular Formula

C33H35NO13

Molecular Weight

653.63

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Elsamitrucin

Elsamicin A is a glycoside and a benzochromenone.

CAS Number	97068-30-9
PubChem CID	5362259
IUPAC Name	3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Molecular Formula	C33H35NO13
Molecular Weight	653.6
XLogP	2
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Heavy Atom Count	47
Formal Charge	0
Complexity	1210

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O

InChI

InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1

InChIKey

MGQRRMONVLMKJL-KWJIQSIXSA-N

Chemical Structure

2D Structure

CAS: 97068-30-9

CID: 5362259

Formula: C33H35NO13

MW: 653.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	653.6
XLogP3	2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Exact Mass	653.21084017
Monoisotopic Mass	653.21084017
Topological Polar Surface Area	206 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
MBS5810772	Elsamitrucin

Elsamitrucin

Chemical Information

Alternative Products

Popular Products