CAS 57-13-6|Urea|尿素|碳酰胺|碳酰二胺|urea|Carbamide|Carbonyldiamide|Urevert|UREA REAGENT GRADE|UREA ULTRA PURE|Ureophil|urea|Carbonyldiamine|Isourea|Urea|Urea solution|尿素溶液|脲|Ureum|carbonyl d...

基本信息

化学结构

分子式

CH₄N₂O

分子量

60.05526

精确质量

60.03236276

电荷

0

InChI

InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

InChIKey

XSQUKJJJFZCRTK-UHFFFAOYSA-N

Canonic Smiles

NC(=O)N

Isomeric Smiles

NC(=O)N

计算属性

JChem

LogD (pH = 7.4)

-1.36

LogD (pH = 5.5)

-1.36

Log P

-1.36

可自由旋转的化学键

0

质子供体

2

质子受体

1

里宾斯基五规则

true

Acid pKa

15.73

极化表面积

69.11

极化性

5.10

摩尔折射率

13.14

LOG S

0.55

数据来源

学术数据

数据来源

名称和标识

别名

Urea尿素碳酰二胺碳酰胺UREA ULTRA PUREUREA REAGENT GRADECarbonyldiamideIsoureaUreophilCarbamideCarbonyldiamineUrevertUreaUrea solution尿素溶液脲Ureumcarbonyl diamidediaminomethanaediaminomethanone尿素溶液Urea solutionUrea, ACS尿素, ACSureaH2NC(O)NH2carbonyldiamide1728KarbamidurUreaureaE927bCarbamideHarnstoffUREAuree

IUPAC标准名

urea

IUPAC传统名

urea

国际非专利药品(INN)

carbamide

名称和标识

数据登录号

CAS号

57-13-6

Beilstein号

635724

MDL号

MFCD00008022

PubChem SID

249006562490061724873763248598992487356746508687160966980249006242487356824900664249006502490064524900652249004352487357324900649248735718144973

EC号

默克索引号

PubChem CID

ATC码

KEGG ID

DrugBank ID

美国药典/FDA物质标识码

CHEBI ID

16199CHEBI:9888CHEBI:46379CHEBI:27218CHEBI:15292CHEBI:16199

Chemspider ID

1143

维基百科标题

Urea

CHEMBL

985CHEMBL985

BRENDA数据库

1.13.11.713.4.23.491.15.1.15.1.3.83.2.1.612.1.3.23.4.23.253.4.21.623.1.3.113.4.21.501.1.1.401.6.3.33.2.1.551.4.1.43.2.1.11

UniProt数据库

P19213B5YPM2Q81JT1Q91293A7ZXF9B2IT66Q7ZWM4Q7X7N2B5RE39Q8CHT0Q02JZ8Q08716B8HA07P86491Q640T1

ACToR数据库

37955-36-530535-50-3173144-80-457-13-6

MetaboLights数据库

MTBLS123MTBLS407MTBLS826MTBLS981MTBLS135MTBLS328MTBLS5405MTBLS187MTBLS789MTBLS96MTBLS893MTBLS320MTBLS881MTBLS1045MTBLS2841

SABIO-RK数据库

2088574143541126219797816089558594146039574774523505959596

KNApSAcK数据库

C00007314

PDB数据库

3mff4fr87s6f4fgx3umv7a377lol2omg5aun5i541ddr3tpj5apw4gxe5ulp2r2x

PubMed文献链接

BKMS React数据库

BRENDA Ligand数据库

MetaCyc数据库

CompTox数据库

SureChEMBL数据库

Reaxys Registry

专利号

WO2005011700WO2007100851US2006160856US2007219171WO2007117926US2007203476EP1889847WO2005072733US2006089414US2005085425WO2005063719WO2005066176EP1923393US2005054651

Golm数据库

3434ebbf-4e28-41ec-8d4a-548de69a9feb4cb4dbda-60d5-4add-97db-9e58ca067a3a415056df-b157-4f04-9e29-1f37fd46a31dbe366414-37c1-4eb2-bcf3-b71ac85789f64028f5d6-cdf1-409d-b401-bb543c5903bcb0307279-90bf-4017-8991-2fe086187bd42a4c6632-4a83-43a8-9d43-9857746fec2eec89e3bb-49fb-4a76-8b43-e5dc840f274da503f777-1b75-4ba5-b91a-6bdc30e04533c5725baa-34ae-4888-a882-e6225cbba42b215a6090-bdf1-431b-a9ee-82b56711ea9dfb2f8982-41fc-439f-8096-7f69c03b94e7980cf801-569e-4889-b332-6f85bfb6907a9d18c8cf-8dda-4a58-a7db-9cca661ec2d3f5f626fd-9647-426e-8c3e-873bae972b6c

Rhea数据库

RHEA:11016RHEA:25342RHEA:13929RHEA:20557RHEA:32799RHEA:20569RHEA:12901RHEA:33871RHEA:32803RHEA:17361RHEA:14849RHEA:17001RHEA:11764RHEA:35827RHEA:16029RHEA:11304

IntEnz数据库

EC 3.5.3.3EC 3.5.3.24EC 3.5.3.4EC 3.5.3.17EC 3.5.3.16EC 3.5.3.2EC 3.5.3.22EC 3.5.3.20EC 4.3.2.3EC 3.5.1.5EC 3.5.3.10EC 4.2.1.69EC 3.5.3.14

EnzymePortal数据库

A6QJC8Q5HLW3Q62HS2Q7W417B9J8M3B4F1A3Q0D2L3P31496A3Q0D7P0CB02Q28RK0B8EPV1P94667Q32C02P50046

HMDB数据库

HMDB0000294

VirtualMetabolicHuman数据库

NMRShiftDB数据库

PPDB数据库

PDBeChem数据库

GeneOntology数据库

GO:0097277GO:0015840GO:0097274GO:0033221GO:0015265GO:0000050GO:0019627GO:0015204GO:0043419GO:0019623GO:0015401GO:0033219GO:0140201GO:0071918

ECMDB Database

ECMDB04172

KEGG DRUG Database

D00023

Reactom Database

R-HSA-350604R-HSA-70569R-HSA-444126R-HSA-507873R-HSA-452036R-HSA-507875

Gmelin ID

1378

BioModels数据库

BIOMD0000000579BIOMD0000001061

YMDB Database

YMDB00003

Drug Central Database

4,264

UM-BBD compID

c0165

BindingDB数据库

24961

数据登录号

化合物性质

安全信息

Irritant

刺激性 (Xi)

药理学性质

human ... CA1(759), CA2(760)rat ... Ppm1a(24666)

human ... CA1(759), CA2(760), EPHX2(2053)mouse ... Ephx2(13850)rat ... Ppm1a(24666)

化合物性质

分子相关蛋白质

分子图谱

暂无数据

点击上传数据

描述信息

DrugBank

DB03904

Drug Groups

experimental

Description

A compound formed in the liver from ammonia produced by the deamination of amino acids. It is the principal end product of protein catabolism and constitutes about one half of the total urinary solids. [PubChem]

Indication

10% hydrate skin

15% accelerate fibrin degradation

20-30% are antipruritic, break down keratin, decrease the thickness of the stratum corneum and are used in scaling conditions such as ichthysosis

40% are proteolytic and may be used to dissolve and peel dystrophic nails

[Patient Self Care, 2010]

Pharmacology

As a humectant, urea draws water into the striatum corneum.

External Links

• [Drugs.com]

Apollo Scientific

OR59884

Reagent

MP Biomedicals

02103209

Crystalline
Reagent Grade
Suitable for most standard applications.

02105695

Ultra Pure
Purity: 99%
4X Crystallized
Suitable for use as a protein denaturant.

Wikipedia

Urea

Sigma Aldrich

U5128

Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
包装
1 kg in poly bottle
5 kg in poly drum
5, 100, 500 g in poly bottle

U1250

Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
包装
1 kg in poly bottle
5 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

U7129

Application
建议用于检测尿素酶活性。
Preparation Note
Warm the refrigerated 40% urea solution to room temperature. Aseptically add 5 mL to 95 mL of sterile molten Urea Agar Base (Christensen). Mix well and dispense in sterile tubes.

U5378

Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。

U6504

Application
使蛋白质增溶和变性以用于变性等电聚焦和二维电泳的离液剂。
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。

U4128

Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。

U4884

ChEBI

CHEBI:16199

A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O).

描述信息

参考文献

PubChem文献

数据源提供

• For a procedure for conversion of carboxylic acids to primary amides by heating with urea, see: Org. Synth. Coll., 3, 768 (1955); 4, 513 (1963).

• Reacts with alcohols on prolonged heating to give alkyl carbamates; see, e.g.: Org. Synth. Coll., 1, 140 (1941).

• Widely used in diazotization reactions for the destruction of excess HNO₂.

• For the one-pot conversion of carboxylic acids to nitriles, by heating with urea in the presence of 1.5-2.0 moles of sulfamic acid, see: Chimia, 25, 94 (1971).

参考文献

生物活性

PubChem BioAssay

生物活性

化合物信息

ID:3541