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Desthiobiotin

Desthiobiotin structure

CAS No:
533-48-2
Formula:
C10H18N2O3
Chemical Name:
Desthiobiotin
Synonyms:
4-Imidazolidinehexanoic acid,5-methyl-2-oxo-,(4R,5S)-;4-Imidazolidinehexanoic acid,5-methyl-2-oxo-,(4R-cis)-;(4R,5S)-5-Methyl-2-oxo-4-imidazolidinehexanoic acid;Biotin,dethio-;Desthiobiotin;Dethiobiotin;d-Dethiobiotin;5-Methyl-2-oxo-4-imidazolidinecaproic acid;ε-(4-Methyl-5-imidazolidone-2)caproic acid;4-Methyl-5-(ω-carboxyamyl)imidazolidone-2;(+)-Dethiobiotin;17866-65-8;29117-52-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography, also can be used for protein and cell labeling, detection and isolation[1].

Solid

(4R,5S)-dethiobiotin is the (4R,5S)-isomer of dethiobiotin. It is a conjugate acid of a (4R,5S)-dethiobiotin(1-). It is an enantiomer of a (4S,5R)-dethiobiotin.

Desthiobiotin Basic Attributes

Molecular Weight：

214.26200

Exact Mass：

214.26

EC Number：

208-566-2

UNII：

71U5JB52KS

HScode：

2933990090

Characteristics

PSA：

78.43000

XLogP3：

1.74900

Appearance：

Solid

Density：

1.095g/cm3

Melting Point：

157 °C

Boiling Point：

476.4ºC at 760mmHg

Flash Point：

241.9ºC

Refractive Index：

1.472

Water Solubility：

>32.1 [ug/mL]

Storage Conditions：

2-8ºC

Collision Cross Section：

144.1 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|162.06 Å² [M+2Na-3H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|145.78 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|159.12 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|158.01 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|144 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|155.8 Å² [M+K]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|155 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|152.5 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.8 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH：

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)|Substances that stimulate mitosis and lymphocyte transformation. They include not only substances associated with LECTINS, but also substances from streptococci (associated with streptolysin S) and from strains of alpha-toxin-producing staphylococci. (Stedman, 25th ed) (See all compounds classified as Mitogens.)

MeSH Entry Terms：

desthiobiotin

Computed Properties

Molecular Weight:214.26
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:214.13174244
Monoisotopic Mass:214.13174244
Topological Polar Surface Area:78.4
Heavy Atom Count:15
Complexity:243
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Biotin

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Content: 98%

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