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1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione structure

CAS No:
1909226-00-1
Formula:
C24H29N3O4
Chemical Name:
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione
Synonyms:
1909226-00-1;NCI60_013031;Neuro_000302;BDA366;CHEMBL134778;SCHEMBL4659112;1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione;1-(3-diethylamino-2-hydroxypropylamino)-4-(2, 3-epoxypropylamino)-9, 10-anthracenedione;1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione;1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-[(2,3-epoxypropyl)amino]-9,10-anthracenedione
Categories:
Organic Chemistry > Quinones

Description

BDA-366 is a member of the class of anthraquinone that is 1,4-diamino-9,10-anthraquinone in which the two amino groups are carrying 3-(diethylamino)-2-hydroxypropyl and (oxiran-2-yl)methyl substituents. It exhibits anti-cancer properties. It has a role as an antineoplastic agent and an apoptosis inducer. It is an anthraquinone, an epoxide, a tertiary amino compound, a secondary amino compound and a secondary alcohol. It derives from a 9,10-anthraquinone.

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione Basic Attributes

Molecular Weight：

423.5 g/mol

Exact Mass：

423.21580641 g/mol

Characteristics

PSA：

94.2 Å²

Drug Information

MeSH Entry Terms：

BDA-366

Computed Properties

Molecular Weight:423.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:423.21580641
Monoisotopic Mass:423.21580641
Topological Polar Surface Area:94.2
Heavy Atom Count:31
Complexity:640
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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4 YRS

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BDA-366

CAS No.: 1909226-00-1

Grade: Industrial Grade

Content: 99%

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Guide of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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