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Boronic acids and esters

Simtuzumab

Also known as 4-borono-3-chlorobenzoic acid, 3-chloro-4-(dihydroxyboranyl)benzoic acid, simtuzumabum

CAS 851335-09-6Formula C7H6BClO4Molar mass 200.39 g/molEC 834-904-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 12 suppliers listed
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Simtuzumab chemical structure, C7H6BClO4, CAS 851335-09-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
851335-09-6
Formula
C7H6BClO4
Molar mass
200.39 g/mol
EC number
834-904-9
HS code
293190
Category
Boronic acids and esters

What is Simtuzumab?

Plain description, key identifiers and synonyms

Simtuzumab is a humanized monoclonal antibody against lysyl oxidase-like 2 (LOXL2), with potential antineoplastic activity. Anti-LOXL2 monoclonal antibody GS 6624 targets and specifically binds to the scavenger receptor cysteine rich domain 4 (SRCR-4) on LOXL2, thereby preventing the crosslinking of collagen and inhibiting the recruitment and activation of fibroblasts. Inhibiting fibroblast activation and the subsequent production of growth factors and chemokines may lead to an inhibition of tumor cell proliferation. LOXL2, a member of the lysyl oxidase (LO) gene family, is an extracellular, copper-dependent enzyme overexpressed in a variety of tumor cell types, and contributes to tumor cell invasion and metastasis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-borono-3-chlorobenzoic acid
CAS number
851335-09-6 CAS number cross-checkedOther or deprecated CAS: 1318075-13-6
EC number
834-904-9
Molecular formula
C7H6BClO4
MDL number
MFCD07363763
InChIKey
FYDHSNLXZRGWFU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
SMILES (canonical and isomeric)
B(C1=C(C=C(C=C1)C(=O)O)Cl)(O)O

Synonyms

  • 4-borono-3-chlorobenzoic acid
  • 3-chloro-4-(dihydroxyboranyl)benzoic acid
  • simtuzumabum
  • GS 6624
  • Recombinant humanized anti-LOXL2 monoclonal antibody
  • Immunoglobulin g4-kappa, anti-(homo sapiens loxl2 (lysyl oxidase-like 2)), humanized monoclonal antibody antibody
  • 4-Carboxy-2-chlorophenylboronic acid
  • 2-Chloro-4-carboxyphenylboronic acid
  • 4-Carboxy-2-chlorobenzeneboronic acid
  • Benzoic acid, 4-borono-3-chloro-
  • 3-chloro-4-(dihydroxyboryl)benzoic acid
  • 4-Carboxy-2-chlorophenylboronic Acid (contains varying amounts of Anhydride)
  • 4-Carboxy-2-chlorophenylboronicacid
  • (4-carboxy-2-chlorophenyl)boronic acid
  • 2-Chloro-4-carboxyphenylboronic acid, AldrichCPR

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
200.39 g/molcalc.
Exact mass
200.0048 Dacalc.
LogP (octanol/water)
-0.28calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (21)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Simtuzumab suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 12 suppliers
12 of 12 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

12 suppliers in 3 countries

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Simtuzumab price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Simtuzumab is traded under.

HS 2931.90Indicative HS code

Organo-inorganic compounds, other than tetramethyl lead, tetraethyl lead, tributyltin compounds…

World exports in 2024
$3.97B
+5.3% vs 2023, imports $3.93B
2019 to 2024
Top exporters
  1. China28.3%
  2. United States15.6%
  3. Germany15.1%
Top importers
  1. United States14.6%
  2. China13.0%
  3. South Korea8.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Simtuzumab is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Simtuzumab, based on the data on this page

What is Simtuzumab?

Simtuzumab is a humanized monoclonal antibody against lysyl oxidase-like 2 (LOXL2), with potential antineoplastic activity.

What is the CAS number of Simtuzumab?

The CAS registry number of Simtuzumab is 851335-09-6. Other or deprecated CAS numbers: 1318075-13-6.

What is the molecular formula and weight of Simtuzumab?

The molecular formula of Simtuzumab is C7H6BClO4 and its molar mass is 200.39 g/mol.

What is Simtuzumab used for?

Known uses and roles of Simtuzumab include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Simtuzumab hazardous?

Simtuzumab carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Simtuzumab?

Simtuzumab is usually classified under HS code 293190 (X. ORGANO-INORGANIC COMPOUNDS, HETEROCYCLIC COMPOUNDS, NUCLEIC ACIDS AND THEIR SALTS…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Simtuzumab?

CompoundList lists 12 suppliers of Simtuzumab in China, United States and Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Simtuzumab?

Suppliers quote Simtuzumab on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Simtuzumab

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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