Phenylbiguanide - 10mM in DMSO , CAS No.102-02-3

CAS: 102-02-3 Cat. No.: P420366 분자식: C8H11N5 분자량: 177.21 Beilstein Registry Number: 12(3)807 PubChem CID: 4780
주문 가능
GRADE & PURITY 10mM in DMSO
Synonyms
BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
P420366-1ml
2 재고 있음
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US$164.90

US$241.90
저장 US$77.00 (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Usually used in one pot synthesis of:4-chloro-2,5-dihydro-2,5-dioxonaphtho[1,2-d]imidazole-3-carboxylic acid phenyl amide, 6-chloro-8-phenylamino-9H-7,9,11-triaza-cyclohepta[a]naphthalene-5,10-dione,4-dimethylamino-5,10-dioxo-2-phenylimino-5,10-dihydro-2H-benzo[g]quinazoline-1-carboxylic acid amide.

Specifications

동의어
BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM
사양 및 순도
10mM in DMSO
생화학 및 생리적 메커니즘
5-HT 3 receptor agonist (EC 50 = 0.64 nM). Increases dopamine release.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자
Pubchem Sid528775254
정식 스마일C1=CC=C(C=C1)N=C(N)N=C(N)N
IUPAC Name1-(diaminomethylidene)-2-phenylguanidine
InChIKeyCUQCMXFWIMOWRP-UHFFFAOYSA-N
INCHI1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
이성체 SMILES C1=CC=C(C=C1)N=C(N)N=C(N)N
WGK 독일 3
RTECS DU2450000
PubChem CID 4780
분자량 177.21
Beilstein 12(3)807
Reaxy-Rn 610553

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
분류Organonitrogen compounds
SubclassGuanidines
Intermediate Tree Nodes Biguanides - Arylbiguanides
Direct Parent1-arylbiguanides
Alternative Parents Benzene and substituted derivatives  Carboximidamides  Organopnictogen compounds  Imines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1-arylbiguanide - Benzenoid - Monocyclic benzene moiety - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as 1-arylbiguanides. These are organonitrogen compounds containing a biguanide that is N-arylsubstituted at only the 1-position.
External Descriptors guanidines
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITGB3 Tclin Integrin alpha-V/beta-3 (2708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAAR5 Tchem Trace amine-associated receptor 5 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Taar1 Trace amine-associated receptor 1 (899 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
녹는점(°C)144 °C
분자량177.210 g/mol
XLogP30.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass177.101 Da
Monoisotopic Mass177.101 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity211.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
참고 문헌
1. Bufan Yu, Xingxing Duan, Zhaohui Xing, Jiacheng Liu, Yutong Pan, Lei Wang, Jiangshan Chen, Dongge Ma.  (2025)  Multifunctional Biguanide Additive Stabilizes Chloride-Rich Quasi-2D Perovskites for Efficient and Stable Pure-Blue LEDs.  ACS Applied Materials & Interfaces,      [PMID:40757629] [10.1021/acsami.5c12585]
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