Products for Research Use Only

Actinomycin D1

CAT: 0013-GTR19211152-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211152-03Size:100 mg
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Description
Actinomycin D is a potent DNA-binding inhibitor that blocks transcription. It is widely used in biochemical research to study transcription mechanisms and has been employed in both in vitro assays and in vivo models to investigate cancer biology and cellular processes.
CAS Number
72766-92-8
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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