Introduction：Basic information about CAS 36476-78-5|Azetidine-3-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Azetidine-3-carboxylic acid |
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| CAS Number | 36476-78-5 | Molecular Weight | 101.104 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 242.0±33.0 °C at 760 mmHg |
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| Molecular Formula | C4H7NO2 | Melting Point | 286 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 100.1±25.4 °C |
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Names
| Name | 3-Azetidinecarboxylic Acid |
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| Synonym | More Synonyms |
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Azetidine-3-carboxylic acid BiologicalActivity
| Description | Azetidine-3-carboxylic acid is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Azetidine-3-carboxylic acid is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2 |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Antibody-drug Conjugate >>ADC LinkerSignaling Pathways >>PROTAC >>PROTAC Linker |
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| Target | Non-cleavable |
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| In Vitro | ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker[1]. PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[2]. |
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| References | [1]. Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017;16(5):315-337. [2]. Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27(8):998-985. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 242.0±33.0 °C at 760 mmHg |
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| Melting Point | 286 °C (dec.)(lit.) |
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| Molecular Formula | C4H7NO2 |
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| Molecular Weight | 101.104 |
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| Flash Point | 100.1±25.4 °C |
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| Exact Mass | 101.047676 |
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| PSA | 49.33000 |
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| LogP | -0.86 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.499 |
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| InChIKey | GFZWHAAOIVMHOI-UHFFFAOYSA-N |
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| SMILES | O=C(O)C1CNC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CM4310600
- CHEMICAL NAME :
- 3-Azetidinecarboxylic acid
- CAS REGISTRY NUMBER :
- 36476-78-5
- BEILSTEIN REFERENCE NO. :
- 0385928
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C4-H7-N-O2
- MOLECULAR WEIGHT :
- 101.12
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C65,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C65,1991
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25-S22 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | CM4310600 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Articles2
More Articles
| Beta-proline analogues as agonists at the strychnine-sensitive glycine receptor. J. Med. Chem. 35 , 233, (1992) 3-Carboxy-3,4-dehydropyrrolidine was found to bind with affinity equal to that of glycine in a [3H]strychnine binding assay. Simple substitution of the 1-, 2-, 4-, or 5-position resulted in marked los... | |
Weed Sci. 38 , 315, (1990)
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Synonyms
| Azetidine-3-carboxylic Acid |
| 3-Azetidinecarboxylic acid |
| MFCD00191763 |
| 3-Azetidine carboxylic acid |
