HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Tiludronate Disodium

HCID 60936
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
149845-07-8
Standard SMILES
O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+]
InChIKey
SKUHWSDHMJMHIW-UHFFFAOYSA-L
Molecular formula
C7H7ClNa2O6P2S
Average molar mass
362.57 g/mol
Monoisotopic mass
361.8922494

Overview

Tiludronate Disodium is the disodium salt form of tiludronate, a first-generation, non-nitrogenous bisphosphonate analogue of endogenous pyrophosphate. Tiludronate adsorbs to hydroxyapatite cells, and although the exact mechanism through which this bisphosphonate exerts its effect has yet to be fully elucidated, tiludronate appears to inhibit protein-tyrosine-phosphatase (PTP) in osteoclasts, thereby disrupting the cytoskeletal ring structure and suppressing the bone resorbing activity of osteoclasts. In addition, tiludronate appears to inhibit the vacuolar-type proton ATPase (V-ATPase) in osteoclasts. Altogether, this may reduce the number of osteoclasts, inhibit abnormal bone resorption and reduce bone turnover.

Names & identifiers

Preferred name
Tiludronate Disodium
IUPAC
disodium;[(4-chlorophenyl)sulfanyl-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
English name
Tiludronic acid, disodium salt
Molecular formula
C7H10ClNaO6P2S
Molecular weight
342.6

Names & synonyms

TILUDRONATE DISODIUM149845-07-8Tiludronic acid disodium saltsr 41319bTiludronate sodiumDTXSID1048621BH6M93CIA0SR-41319BTiludronate disodium anhydrousDTXCID4028547TildrenRefChem:56266
Show more names
SR 41319GUnii-bh6m93cia0Tiludrote disodiumDisodiumTiludronate>Tiludronic acid, disodium saltDisodium (4-chlorophenylthio)methylenediphosphonate(((4-chlorophenyl)thio)methylene)diphosphonic acid, sodium salt
SkelidDisodium TiludronateTILUDRONIC ACID, DISODIUM SALTTiludronate disodium [USAN]Tiludronic Acid (disodium)Disodium dihydrogen (((p-chlorophenyl)thio)methylene)diphosphonatePhosphonic acid, (((4-chlorophenyl)thio)methylene)bis-, disodium saltPhosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, sodium salt (1:2)

Database identifiers

CAS
149845-07-8
PubChem CID
60936
DTXSID
DTXSID1048621
ChEMBL
CHEMBL1200448
UNII
BH6M93CIA0
EC Number
682-613-9

Properties

Computed structural properties

Topological polar surface area
146 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
320

Experimental & physicochemical properties

Human Drugs · 2 items

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsFDA approved animal drugs -> Active ingredient

Physicochemical properties

Melting point
300 °C · >300°C
storage temp.
-20 °C · -20°C Freezer
solubility
Methanol (Slightly), Water (Slightly)
form
Solid
color
White to Off-White
Merck
14 · 14,9441
FDA UNII
6 M93CIA0 · BH6M93CIA0
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
302 · H302-H318
Precautionary statements
280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
HS Code
2931.39 · 2931.39.0030

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxicology

Drug Induced Liver Injury · 6 items

Drug Induced Liver Injury Rank (DILIrank 2.0)

Tiludronate disodium

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Safety data

hs_code
2931.39.0030
Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H302-H318
Precautionary statements
P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationAgents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.
Applications · 2 items

DescriptionTiludronate disodium, the first of the third generation of bisphosphonates, was introduced to the market in Switzerland for the treatment of Paget‘s disease. Bisphosphonates have high affinity for bone. When given orally, they are not metabolized but are absorbed, stored, preferentially localized to the skeleton where they inhibit bone resorption and therefore are useful in the treatment of diseases of high bone turnover such as Paget’s disease and hypercalcemia of malignancy. Mechanistically, tiludronate disodium is suggested to be a specific inhibitor of functioning osteoclasts through selective incorporation into the polarized osteoclastlike multinucleated cells and direct interference with the maintenance of the cytoskeletal structure. Tiludronate disodium is reportedly in clinical trials for osteoporosis in post-menopausal women.

UsesA biphosphonate bone resorption inhibitor.

Upstream & downstream products

Upstream raw materials

Sodium hydroxideHydrochloric acidSodium hydrideTetraisopropyl methylenediphosphonate

Suppliers41 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
南京宁凡医药科技有限公司17368696818
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
北京索莱宝科技有限公司17801761073 18101056239 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes