3,5-二羟基苯甲酸, HCA 1 受体激动剂

29篇引用文献

COA

级别和纯度:

Moligand™

≥97%

CAS编号: 99-10-5
分子式: C₇H₆O₄
分子量: 154.12
Beilstein号: 2207864
EC号: 202-730-7
MDL号: MFCD00002512
PubChem编号: 7424
PubChem SID: 488180424

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货号 (SKU)	包装规格	是否现货
D104386-5g	5g	现货
D104386-25g	25g	现货
D104386-100g	100g	现货
D104386-250g	250g	现货
D104386-500g	500g	现货
D104386-2.5kg	2.5kg	现货

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HCA1 receptor Agonist (6) 代谢物 (8911)

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基本描述

别名	α-雷琐酸 \| α-雷琐辛甲酸
英文别名	AI3-52338 \| BDBM50336490 \| HY-W015560 \| SCHEMBL28106 \| 3,5-Dihydroxybenzoicacid \| 34D \| alpha-Resorcylic acid \| GTPL5783 \| FT-0602267 \| 3,5-Dihydroxybenzoic acid, 97% \| DTXSID8059184 \| F0001-2331 \| 3,5-Dihydroxybenzoic acid (ACD/Name 4.0) \| P16552 \| NSC 2
规格或纯度	Moligand™, ≥97%
英文名称	3,5-Dihydroxybenzoic acid
储存温度	避光
运输条件	常规运输
作用类型	激动剂
作用机制	HCA 1 受体激动剂
产品介绍	与发烟硫酸或热的浓硫酸作用生成紫红色的化合物，遇三氯化铁会变成粉红色。溶于水、乙醇、乙醚、丙酮。半数致死量(小鼠，静脉)2000mg/kg。有刺激性。从水中结晶含1.5分子结晶水。水中溶解度:84 g/l (20°C) 有机合成。
纯度	≥97%

关联靶点（人）

CA1 Tclin 碳酸酐酶1(Carbonic anhydrase 1) (1 活性数据)

点击查看靶蛋白信息： CA1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CA2 Tclin 碳酸酐酶2(Carbonic anhydrase 2) (1 活性数据)

点击查看靶蛋白信息： CA2

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CA14 Tclin 碳酸酐酶14(Carbonic anhydrase 14) (1 活性数据)

点击查看靶蛋白信息： CA14

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

HCAR1 Tchem 羟基羧酸受体1(Hydroxycarboxylic acid receptor 1) (2 活性数据)

点击查看靶蛋白信息： HCAR1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 活性数据)

点击查看靶蛋白信息： CA2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 活性数据)

点击查看靶蛋白信息： CA1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ALB Tchem Serum albumin (2651 活性数据)

点击查看靶蛋白信息： ALB

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA14 Tclin Carbonic anhydrase XIV (1305 活性数据)

点击查看靶蛋白信息： CA14

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 活性数据)

点击查看靶蛋白信息： CA12

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 活性数据)

点击查看靶蛋白信息： CA9

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TLR2 Tchem Toll-like receptor 2 (975 活性数据)

点击查看靶蛋白信息： TLR2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HCAR1 Tchem G-protein coupled receptor 81 (382 活性数据)

点击查看靶蛋白信息： HCAR1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ca7 Carbonic anhydrase VII (3 活性数据)

点击查看靶蛋白信息： Ca7

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Hcar2 Hydroxycarboxylic acid receptor 2 (55 活性数据)

点击查看靶蛋白信息： Hcar2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Hylobius abietis (106 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488180424
EC号	202-730-7
分子类型	小分子
IIUPAC Name	3,5-dihydroxybenzoic acid
INCHI	1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChi Key	UYEMGAFJOZZIFP-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1O)O)C(=O)O
Isomeric SMILES	C1=C(C=C(C=C1O)O)C(=O)O
分子量	154.12
Beilstein号	2207864
Reaxy-Rn	2207864
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207864&ln=

化学和物理性质

溶解性	Soluble in 50 mg/mL, 95% Ethanol.
密度	1.559
敏感性	对光敏感；对湿度敏感
闪点(℉)	392 °F
闪点(℃)	≥200℃
熔点	232-233°C
分子量	154.120 g/mol
XLogP3	0.900
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	154.027 Da
单同位素质量Monoisotopic Mass	154.027 Da
拓扑极表面积Topological Polar Surface Area	77.800 Å²
重原子数Heavy Atom Count	11
形式电荷Formal Charge	0
复杂度Complexity	147.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	警告
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	1
RTECS	VH3708000
个人防护装备	dust mask type N95 (US),Eyeshields,Gloves

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批号(Lot Number)	证书类型	货号
F23051181	分析证书	D104386
G23051180	分析证书	D104386
G23051182	分析证书	D104386
G23051183	分析证书	D104386
G23051188	分析证书	D104386
B2328421	分析证书	D104386
B2328422	分析证书	D104386
B2328424	分析证书	D104386
B2328425	分析证书	D104386
B2328427	分析证书	D104386
B2328428	分析证书	D104386
B2328429	分析证书	D104386
B2328430	分析证书	D104386
B2328431	分析证书	D104386
L1411017	分析证书	D104386
H1809035	分析证书	D104386
A2330473	分析证书	D104386

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