Mithramycin A

CAT: 0931-T5530-05Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T5530-05Size:10 mg

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CAS Number

18378-89-7

Target

DNA/RNA Synthesis, GST, Antibacterial, Antibiotic

Related Pathways

DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Oxidation-Reduction, Microbiology/Virology

Purity

0.9992

Bioactivity

Mithramycin A (Plicamycin), a DNA-binding antitumor antibiotic, is a selective specificity protein 1 (Sp1) inhibitor, which inhibits the growth of various cancers by decreasing Sp1 protein. Specificity protein 1 (Sp1) is a zinc-finger transcription factor that regulates multiple cellular functions and promotes tumor progression.

Smiles

[H][C@@]1(C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@]([H])(Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@@]5([H])C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@H]1O

Molecular Formula

C52H76O24

Molecular Weight

1085.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mithramycin

Plicamycin can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	18378-89-7
PubChem CID	163659
IUPAC Name	(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Molecular Formula	C52H76O24
Molecular Weight	1085.1
XLogP	0.6
Topological Polar Surface Area	358
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	15
Heavy Atom Count	76
Formal Charge	0
Complexity	1940

SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O

InChI

InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1

InChIKey

CFCUWKMKBJTWLW-BKHRDMLASA-N

Chemical Structure

2D Structure

CAS: 18378-89-7

CID: 163659

Formula: C52H76O24

MW: 1085.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1085.1
XLogP3	0.6
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	15
Exact Mass	1084.47265329
Monoisotopic Mass	1084.47265329
Topological Polar Surface Area	358 Å²
Heavy Atom Count	76
Formal Charge	0
Complexity	1940
Isotope Atom Count	0
Defined Atom Stereocenter Count	25
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
M2300-01	Mithramycin
MBS3841071-01	Mithramycin A

Mithramycin A

Chemical Information

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