Vipivotide tetraxetan (PSMA-617), 叶酸水解酶（前列腺特异性膜抗原）抑制剂 1

ADC 的药物接头偶联物

COA

级别和纯度:

Moligand™

10mM in Water

CAS编号: 1702967-37-0
分子式: C₄₉H₇₁N₉O₁₆
分子量: 1042.14
PubChem编号: 122706786

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库存信息

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货号 (SKU)	包装规格	是否现货	价格	数量
V422101-1ml	1ml	现货

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Compound libraries (12333)

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基本描述

别名	Vipivotide 四西坦 (PSMA-617)
英文别名	1702967-37-0 \| Vipivotide tetraxetan \| s8670 \| PSMA617 \| PSMA-617 \| Sodium phosphate monobasic monohydrate, BioXtra, for molecular biology, >=99.5% (T) \| NACLO3 \| -LYSINE, N2-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-N6-(3-(2-NAPHTHALENYL)-N-((TRANS-4-(
规格或纯度	Moligand™, 10mM in Water
英文名称	Vipivotide tetraxetan (PSMA-617)
生化机理	Vipivotide tetraxetan（PSMA-617）是一种化学修饰的 PSMA（前列腺特异性膜抗原）抑制剂，其 Ki 值为 0.37 nM。
储存温度	-80℃储存
运输条件	超低温冰袋运输
作用类型	抑制剂
作用机制	叶酸水解酶（前列腺特异性膜抗原）抑制剂 1
产品介绍	Vipivotide tetraxetan (PSMA-617) 是一种化学修饰的 PSMA(prostate-specific membrane antigen) 抑制剂，Ki值为0.37 nM。 Information Vipivotide tetraxetan (PSMA-617) is a chemically modified PSMA(prostate-specific membrane antigen) inhibitor with a Ki of 0.37 nM. Targets PSMA (Cell-free assay) 0.37 nM(Ki) In vitro PSMA-617 demonstrates high radiolytic stability for at least 72 h. A high inhibition potency (equilibrium dissociation constant Ki = 2.34 ± 2.94 nM on LNCaP; Ki = 0.37 ± 0.21 nM enzymatically determined) and highly efficient internalization into LNCaP cells are demonstrated. In vivo The small-animal PET measurements show high tumor-to-background contrasts as early as 1 h after injection. In vivo distribution reveals specific uptake in LNCaP tumors and in the kidneys 1 h after injection. With regard to therapeutic use, PSMA-617 exhibits a rapid clearance from the kidneys from 113.3 ± 24.4 at 1 h to 2.13 ± 1.36 percentage injected dose per gram at 24 h. The favorable pharmacokinetics of the molecule leads to tumor-to-background ratios of 1,058 (tumor to blood) and 529 (tumor to muscle), respectively,24 h after injection. Cell Research(from reference) Cell lines：PSMA-positive LNCaP cell line Concentrations：0–5000 nM Incubation Time：1 h

产品属性

ALogP	-11.549
HBD Count	5
Rotatable Bond	27

关联靶点（人）

FOLH1 Tclin 谷氨酸羧肽酶2(Glutamate carboxypeptidase 2) (1 活性数据)

点击查看靶蛋白信息： FOLH1

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

FOLH1 Tclin Glutamate carboxypeptidase II (711 活性数据)

点击查看靶蛋白信息： FOLH1

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

分子类型	小分子
IIUPAC Name	(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
INCHI	1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1
InChi Key	JBHPLHATEXGMQR-VLOIPPKDSA-N
Smiles	C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O
Isomeric SMILES	C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
PubChem CID	122706786
分子量	1042.14

化学和物理性质

DMSO(mg / mL) Max Solubility	-1
DMSO(mM) Max Solubility	-0.959563974130155
Water(mg / mL) Max Solubility	100
Water(mM) Max Solubility	95.9563974130155
分子量	1042.099 g/mol
XLogP3	-8.200
氢键供体数Hydrogen Bond Donor Count	11
氢键受体数Hydrogen Bond Acceptor Count	20
可旋转键计数Rotatable Bond Count	27
精确质量Exact Mass	1041.5 Da
单同位素质量Monoisotopic Mass	1041.5 Da
拓扑极表面积Topological Polar Surface Area	365.000 Å²
重原子数Heavy Atom Count	74
形式电荷Formal Charge	0
复杂度Complexity	1870.000
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	3
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