BISBUTYTIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H46N8O6S2
Molecular Weight	702.888
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)OCCC(SSC(CCOC(=O)CCC)=C(C)N(CC1=CN=C(C)N=C1N)C=O)=C(C)N(CC2=CN=C(C)N=C2N)C=O

InChI

InChIKey=YMEBNAABDXLAJE-KKTFQPMKSA-N

InChI=1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+

HIDE SMILES / InChI

Molecular Formula	C32H46N8O6S2
Molecular Weight	702.888
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Description
Sources: http://www.google.ch/patents/EP0830862A4?cl=en&hl=de
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/6009073 https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA1181&lpg=PA1181&dq=Bisbutythiamin+drug&source=bl&ots=6IVjo2Xxxs&sig=lzsAkD2mgHSQp_9ewYdntzQJ57g&hl=en&sa=X&ved=0ahUKEwjCpdeB7bPPAhVK3SwKHfY6CL0Q6AEIKzAD#v=onepage&q=bisbu&f=false Retrieved from Dictionary of drugs: Chemical data, structures and bibliographies, edited by J. Elks and C. R. Ganellin. Chapman and Hall, p.1181

BISBUTYTIAMINE is a Vitamin B derivative, analgesic. BISBUTYTIAMINE has being shown to be useful for preventing and treating AIDS, because it has the effect of inhibiting the growth of HIV on early infected cells without killing the cells and both of the cytocidal and HIV-killing effects on the cells that have come to produce HIV continuously.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
HIV growth 1 Target ID: HIV growth Sources: http://www.google.ch/patents/EP0830862A4?cl=en&hl=de	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
HIV-1 infection 151 Sources: http://www.google.ch/patents/EP0830862A4?cl=en&hl=de	Primary		Basic research	Unknown Approved Use Unknown
Heart diseases 12 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6009073	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Retention in the body of various O-acyl-thiamine disulfides and several properties of O-butyryl-thiamine disulfide.	1966 Sep 10	5956793

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:17 GMT 2023` Edited by `admin` on `Fri Dec 15 16:09:17 GMT 2023`
Record UNII	6A8BO41Z90
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BISBUTYTIAMINE

Common Name

English

BISBUTYTIAMINE [JAN]

Common Name

English

Bisbutiamine [WHO-DD]

Common Name

English

O-BUTYRYLTHIAMINE DISULPHIDE

Common Name

English

BISBUTIAMINE [MART.]

Common Name

English

BUTANOIC ACID, DITHIOBIS(3-(1-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)ETHYLIDENE)-3,1-PROPANEDIYL) ESTER

Common Name

English

217882Q07P

Code

English

O-BUTYRYLTHIAMINE DISULFIDE

Common Name

English

BUTANOIC ACID, 1,1'-(DITHIOBIS(3-(1-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)ETHYLIDENE)-3,1-PROPANEDIYL)) ESTER

Common Name

English

BISBUTIAMINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45812