Catalog No.:AA00IAI6

59642-21-6 | N-(4-Nitrobenzoyl)-beta-alanine

Name: Name:N-(4-Nitrobenzoyl)-beta-alanine
Brand: AABLOCKS
SKU: AA00IAI6
Availability: InStock
Rating: 90 (10 reviews)

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Purity

Availability

Price(USD)

Quantity

98%

in stock

$35.00 $25.00

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>98.0%(T)(HPLC)

in stock

$51.00 $36.00

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25g

>98.0%(T)(HPLC)

in stock

$156.00 $109.00

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00IAI6

Chemical Name:

N-(4-Nitrobenzoyl)-beta-alanine

CAS Number:

59642-21-6

Molecular Formula:

C10H10N2O5

Molecular Weight:

238.1968

MDL Number:

MFCD00009794

SMILES:

OC(=O)CCNC(=O)c1ccc(cc1)N(=O)=O

Properties

BP:

533.8°C at 760 mmHg

Form:

Solid

MP:

157-160 °C(lit.)

Storage:

Keep in dry area;2-8℃;

Computed Properties

Complexity:

304

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

0.5

Downstream Synthesis Route

59642-21-6

7377-08-4

[1]SyntheticCommunications,2010,vol.40,p.2241-2253

[2]Chemistry-AEuropeanJournal,2017,vol.23,p.4042-4045

[3]JournaloftheAmericanChemicalSociety,1949,vol.71,p.3014,3015

[4]Patent:US4412992,1983,A

[5]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.2740-2744

122-04-3

107-95-9

59642-21-6

[1]Hofmann,Dagmar;Gans,Eva;Krüll,Jasmin;Heinrich,MarkusR.[Chemistry-AEuropeanJournal,2017,vol.23,#17,p.4042-4045]

[2]Bracher,Franz;Dietschreit,JohannesC.B.;Ghazy,Ehab;Glas,Carina;Jung,Manfred;Ochsenfeld,Christian;Sippl,Wolfgang;Urban,Lars;Wössner,Nathalie[EuropeanJournalofMedicinalChemistry,2020,vol.206]

[3]Wrightetal.[JournaloftheAmericanChemicalSociety,1949,vol.71,p.3014,3015]

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US4412992,1983,A

[5]Locationinpatent:schemeortableKhan,Md.Umar;Baseer;Kumar,S.Ranjith;Saravanakumar;Prasannanjali;Gupta,P.Badarinadh;Kaushik,VipinK.;Handa,VijayK.;Islam,Aminul[SyntheticCommunications,2010,vol.40,#15,p.2241-2253]

[6]Li,Na;Ou,Jinfeng;Bao,Na;Chen,Cheng;Shi,Zhixian;Chen,Li;Sun,Jianbo[BioorganicChemistry,2020,vol.104]

619-80-7

107-95-9

59642-21-6

[1]CurrentPatentAssignee:XIAMENANPUDUNINFORMATIONTECHNOLOGY;CHENGDUCARDIFFTECH;XIAMENANPUDUNINFORMATIONTECH-CN105503634,2016,ALocationinpatent:Paragraph0013;0014

Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

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