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Actinomycin D1

CAT: 0931-T68795-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68795-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72766-92-8
Target
Others
Related Pathways
Others
Bioactivity
Actinomycin D1 is a DNA inhibitor.
Smiles
C(NC1C(=O)NC(C(C)C)C(=O)N2C(CCC2)C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)(=O)C3=C4C(OC=5C(=N4)C(C(NC6C(=O)NC(C(C)C)C(=O)N7C(CCC7)C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC6C)=O)=C(N)C(=O)C5C)=C(C)C(NC(COC(C(C(C)C)N)=O)=O)=C3
Molecular Formula
C69H98N14O19
Molecular Weight
1427.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Actinomycin D1

Actinomycin D1 is a cyclodepsipeptide.

CAS Number72766-92-8
PubChem CID139590298
IUPAC Name9,11-dimethyl-4-N,6-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-5H-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
Molecular FormulaC63H86N12O16
Molecular Weight1267.4
XLogP4.9
Topological Polar Surface Area338
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count91
Formal Charge0
Complexity2800
SMILES
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC=N6)C(=O)N[C@H]7[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]8CCCN8C(=O)[C@H](NC7=O)C(C)C)C)C)C(C)C)C
InChI
InChI=1S/C63H86N12O16/c1-28(2)42-60(84)74-23-17-19-37(74)58(82)70(13)25-39(76)72(15)49(30(5)6)62(86)89-34(11)44(56(80)66-42)68-54(78)36-22-21-32(9)51-46(36)65-48-41(47-52(88-27-64-47)33(10)53(48)91-51)55(79)69-45-35(12)90-63(87)50(31(7)8)73(16)40(77)26-71(14)59(83)38-20-18-24-75(38)61(85)43(29(3)4)67-57(45)81/h21-22,27-31,34-35,37-38,42-45,49-50,65H,17-20,23-26H2,1-16H3,(H,66,80)(H,67,81)(H,68,78)(H,69,79)/t34-,35-,37+,38+,42-,43-,44+,45+,49+,50+/m1/s1
InChIKey
RQKXACONPJCHNX-QYZRMVFWSA-N
Chemical Structure
2D Structure
2D structure of Actinomycin D1
CAS: 72766-92-8
CID: 139590298
Formula: C63H86N12O16
MW: 1267.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1267.4
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass1266.62847470
Monoisotopic Mass1266.62847470
Topological Polar Surface Area338 Ų
Heavy Atom Count91
Formal Charge0
Complexity2800
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS651300-01Actinomycin D (Streptomyces antibioticus, Dactinomycin, Actinomycin IV, Actinomycin C1)
40110004-3Actinomycin D
MBS3847782-01Actinomycin X2
sc-507379Actinomycin V
440947-01Actinomycin C

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