Actinomycin D1

CAT: 0931-T68795-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T68795-02Size:50 mg

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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 Number	72766-92-8
PubChem CID	139590298
IUPAC Name	9,11-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 Formula	C63H86N12O16
Molecular Weight	1267.4
XLogP	4.9
Topological Polar Surface Area	338
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	8
Heavy Atom Count	91
Formal Charge	0
Complexity	2800

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

CAS: 72766-92-8

CID: 139590298

Formula: C63H86N12O16

MW: 1267.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1267.4
XLogP3	4.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	8
Exact Mass	1266.62847470
Monoisotopic Mass	1266.62847470
Topological Polar Surface Area	338 Å²
Heavy Atom Count	91
Formal Charge	0
Complexity	2800
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

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T39319	Actinomycin X2
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T24723-01	ROCK-IN-D1
T82453-01	Epothilone D1
TN7398-01	Ephedrannin D1
T25314-01	Detoxin D1
T126335-01	Ciwujianoside D1
T13864	Resolvin D1

Alternative Products

Catalog	Name
MBS651300-01	Actinomycin D (Streptomyces antibioticus, Dactinomycin, Actinomycin IV, Actinomycin C1)
A4448-5.1	Actinomycin D
MBS3847782-01	Actinomycin X2
sc-507379	Actinomycin V
440947-01	Actinomycin C

Actinomycin D1

Chemical Information

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