CAS 53-84-9 MFCD00036253-β-Nicotinamide adenine dinucleotide hydrate β-烟酰胺腺嘌呤二核苷酸水合物 TAO{mole}

β-Nicotinamide adenine dinucleotide hydrate β-烟酰胺腺嘌呤二核苷酸水合物

CAS 53-84-9 MFCD00036253

化学结构图

SMILES: NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

化学属性

Mol. Formula	C21H27N7O14P2
Mol. Weight	663.43
Density	1.422
Solubility	Soluble in water (200 mg/ml).
Stability	对湿度敏感
Melting Point	140-142°C

别名和识别编码

Chemical Name	β-Nicotinamide adenine dinucleotide hydrate
Synonym	NAD+ {LY} NAD+ Nicotinamide Ade beta-Nicotinamide Adenine Dinucleotide {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} NAD+ {} {}
CAS Number	53-84-9
EC Number	200-184-4
Beilstein Registry Number	3584133
MDL Number	MFCD00036253
PubChem Substance ID	5892
Reaxys-RN	3584133
Merck Number	6344
Chemical Name Translation	β-烟酰胺腺嘌呤二核苷酸水合物
Wiswesser Line Notation	T56 BN DN GN INJ FZ B- BT5OJ CQ DQ E1OPWOPWO1- BT5OTJCQ DQ E- AT6KJ CVZ
LabNetwork Molecule ID	LN01315733
InChI	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Canonical SMILES	O[C@@H]1[C@H](O)[C@@H](COP(OP(OC[C@@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4N)[C@H]2O)(O)=O)([O-])=O)O[C@H]1[N+]5=CC(C(N)=O)=CC=C5

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产品应用

烟酰胺腺嘌呤二核苷酸是一种转递質子（更准确来说是氢离子）的辅酶，它出现在细胞很多代谢反应中。NADH或更准确NADH + H+是它的还原形式。它可以被还原，最多携带两个質子（写为NADH + H+）。NAD+是脱氢酶的辅酶，如乙醇脱氢酶(ADH)，用于氧化乙醇。它在糖酵解、糖异生、三羧酸循环及呼吸链中发挥着不可替代的作用。中间产物会将脱下的氢递给NAD，使之成为NADH + H+。而NADH + H+则会作为氢的载体，在呼吸链中通过化学渗透偶联的方式，合成ATP。
在吸光方面，NADH+H+在260nm和340nm处各有一吸收峰，而NAD+则只有260nm一处吸收峰，这是区别两者的重要属性。这同时也是很多代谢试验中，测量代谢率的物理依据。NAD在260nm的吸光系数为1.78*104L /(mol*cm)，而NADH在340nm的吸光系数为6.2*10³ L/(mol*cm)。

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R68/20/21/22
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352
P304+P340
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P337+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSUU3450000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage condition 2-8°C {LY} 2-8°C {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {

Hazard Codes Xn

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激
H371 May cause damage to organs 可能导致器官损伤

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4333 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 20,160,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ABCHA6 Agricultural and Biological Chemistry.  (Maruzen Co. Ltd., POB 5050,
   Tokyo International, Tokyo 100-31, Japan)  V.25-    1961-
   Volume(issue)/page/year: 45,327,1981

其他信息

极易吸湿。固体在干燥器内0℃或室温时稳定。中性或微酸性溶液（pH3～7)，在0℃时可稳定2周以上，碱性溶液中极易变质，加热易分解。溶于水，不溶于丙酮等有机溶剂。pH7.5时最大吸收波长259nm(ε17800)。最小吸收波长230nm(ε8000)。