Talabostat
Also known as Val-boroPro, valinyl-boroproline, [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
Key facts
What buyers check first
- CAS number
- 149682-77-9
- Formula
- C9H19BN2O3
- Molar mass
- 214.07 g/mol
- HS code
- 293399
- Category
- Boronic acids and esters
What is Talabostat?
Plain description, key identifiers and synonyms
Talabostat is a small molecule with antineoplastic and hematopoiesis- stimulating activities. By cleaving N-terminal Xaa-Pro or Xaa-Ala residues, talabostat inhibits dipeptidyl peptidases, such as fibroblast activation protein (FAP), resulting in the stimulation of cytokine and chemokine production and specific T-cell immunity and T-cell dependent activity. This agent may also stimulate the production of colony stimulating factors, such as granulocyte colony stimulating factor (G-CSF), resulting in the stimulation of hematopoiesis. Dipeptidyl peptidases are involved in the activation of polypeptide hormones and chemokines.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
- CAS number
- 149682-77-9 CAS number cross-checkedOther or deprecated CAS: 150080-09-4
- Molecular formula
- C9H19BN2O3
- UNII
- KZ1O2SH88Z
- InChIKey
- FKCMADOPPWWGNZ-YUMQZZPRSA-N
- InChI
- InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
- Canonical SMILES
- CC(C)C(N)C(=O)N1CCCC1B(O)O
- Isomeric SMILES
- B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O
Synonyms
- Val-boroPro
- valinyl-boroproline
- [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
- PT100 cpd
- ((2R)-1-((2S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid
- talabostatum
- BXCL701
- BXCL 701
- BXCL-701
- Val-boro-pro
- L-valinyl-L-boroproline
- ((R)-1-(L-Valyl)pyrrolidin-2-yl)boronic acid
- Pyrrolidine derivative
- ((R)-1-((S)-2-Amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid
- Val-boroPro, PT100
- Valinyl-L-Boroproline
- PT 100
- ValboroPro
- Ketopyrrolidine derivative
- Talabostat (USAN/INN)
- compound 1
- [(2R)-1-L-Valylpyrrolidin-2-yl]boronic acid
- ((R)-1-((S)-2-Amino-3-methylbutanoyl)pyrrolidin-2-yl)boronicacid
- (R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-ylboronic acid
- (S)-2-Amino-3-methyl-2-boronic acid-1-pyrrolidin-1-yl-butan-1-one
Show all 29 synonymsShow fewer synonyms
- (S)-2-Amino-1-((R)-2-dihydroxyboron-pyrrolidin-1-yl)-3-methyl-butan-1-one
- Boronic acid, ((2R)-1-((2S)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)
- Boronic acid, ((2R)-1-((2S)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-
- Boronic acid, (1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-, (R-(R*,S*))-
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 | 214.07 g/molcalc.Computed value |
|---|---|
| Exact mass | 214.1489 Dacalc.Computed value |
| LogP (octanol/water) | -1.03calc.Computed value |
| Topological polar surface area | 86.79 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 15calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.89calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Talabostat suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Talabostat can send you quotes. Your contact details stay private until you accept a quote.
Talabostat price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antineoplastic agent
- pharmaceutical
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 Talabostat is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Talabostat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Talabostat, based on the data on this page
What is Talabostat?
What is the CAS number of Talabostat?
What is the molecular formula and weight of Talabostat?
What is Talabostat used for?
Is Talabostat hazardous?
What is the HS code of Talabostat?
Where can I buy Talabostat?
What is the price of Talabostat?
Guides for buyers
Practical guides that help when you source, ship or handle Talabostat
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Talabostat
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Talabostat with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/talabostat-149682-77-9" title="Talabostat structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Boronic acids and esters or HS code 293399